5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C95H102ClF2N21O9S — CID 159636652

IUPAC5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(CO)CCl)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)(F)CC3)c(N)c2C(N)=O)cc1.Cc1csc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)n1
InChIInChI=1S/C25H27F2N5O2.C25H29N5O2.C23H22N6O2S.C22H24ClN5O3/c1-15-4-2-3-5-19(15)24(34)30-14-16-6-8-17(9-7-16)21-20(23(29)33)22(28)32(31-21)18-10-12-25(26,27)13-11-18;1-16-7-3-6-10-20(16)24(31)28-15-17-11-13-18(14-12-17)22-21(25(32)27-2)23(26)30(29-22)19-8-4-5-9-19;1-13-5-3-4-6-17(13)22(31)26-11-15-7-9-16(10-8-15)19-18(21(25)30)20(24)29(28-19)23-27-14(2)12-32-23;1-13-4-2-3-5-17(13)22(31)26-11-14-6-8-15(9-7-14)19-18(21(25)30)20(24)28(27-19)16(10-23)12-29/h2-9,18H,10-14,28H2,1H3,(H2,29,33)(H,30,34);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);3-10,12H,11,24H2,1-2H3,(H2,25,30)(H,26,31);2-9,16,29H,10-12,24H2,1H3,(H2,25,30)(H,26,31)
InChIKeyMPVHASRDXVPZCI-UHFFFAOYSA-N
MW1787.51 g/mol
LogP13.53
Rot. Bonds26

About 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 159636652) has the molecular formula C95H102ClF2N21O9S and a molecular weight of 1787.51 g/mol. Its IUPAC name is 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID159636652
Molecular FormulaC95H102ClF2N21O9S
Molecular Weight1787.51 g/mol
Exact Mass1785.75
IUPAC Name5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(CO)CCl)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)(F)CC3)c(N)c2C(N)=O)cc1.Cc1csc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)n1
InChIInChI=1S/C25H27F2N5O2.C25H29N5O2.C23H22N6O2S.C22H24ClN5O3/c1-15-4-2-3-5-19(15)24(34)30-14-16-6-8-17(9-7-16)21-20(23(29)33)22(28)32(31-21)18-10-12-25(26,27)13-11-18;1-16-7-3-6-10-20(16)24(31)28-15-17-11-13-18(14-12-17)22-21(25(32)27-2)23(26)30(29-22)19-8-4-5-9-19;1-13-5-3-4-6-17(13)22(31)26-11-15-7-9-16(10-8-15)19-18(21(25)30)20(24)29(28-19)23-27-14(2)12-32-23;1-13-4-2-3-5-17(13)22(31)26-11-14-6-8-15(9-7-14)19-18(21(25)30)20(24)28(27-19)16(10-23)12-29/h2-9,18H,10-14,28H2,1H3,(H2,29,33)(H,30,34);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);3-10,12H,11,24H2,1-2H3,(H2,25,30)(H,26,31);2-9,16,29H,10-12,24H2,1H3,(H2,25,30)(H,26,31)
InChIKeyMPVHASRDXVPZCI-UHFFFAOYSA-N
XLogP13.53
TPSA483.25 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001787.51
LogP ≤ 513.53
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 159636652) is 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is CNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(CO)CCl)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)(F)CC3)c(N)c2C(N)=O)cc1.Cc1csc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)n1.
What is the InChIKey of 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is MPVHASRDXVPZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2.C25H29N5O2.C23H22N6O2S.C22H24ClN5O3/c1-15-4-2-3-5-19(15)24(34)30-14-16-6-8-17(9-7-16)21-20(23(29)33)22(28)32(31-21)18-10-12-25(26,27)13-11-18;1-16-7-3-6-10-20(16)24(31)28-15-17-11-13-18(14-12-17)22-21(25(32)27-2)23(26)30(29-22)19-8-4-5-9-19;1-13-5-3-4-6-17(13)22(31)26-11-15-7-9-16(10-8-15)19-18(21(25)30)20(24)29(28-19)23-27-14(2)12-32-23;1-13-4-2-3-5-17(13)22(31)26-11-14-6-8-15(9-7-14)19-18(21(25)30)20(24)28(27-19)16(10-23)12-29/h2-9,18H,10-14,28H2,1H3,(H2,29,33)(H,30,34);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);3-10,12H,11,24H2,1-2H3,(H2,25,30)(H,26,31);2-9,16,29H,10-12,24H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 1787.51 g/mol, XLogP of 13.53, 26 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(1-chloro-3-hydroxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 159636652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).