5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C25H32N6O3 — CID 163292154

IUPAC5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC4CCCCC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C25H32N6O3/c1-15(2)31-24(26)22(25(27)33)23(29-31)18-10-8-17(9-11-18)13-20(32)28-21-14-19(30-34-21)12-16-6-4-3-5-7-16/h8-11,14-16H,3-7,12-13,26H2,1-2H3,(H2,27,33)(H,28,32)
InChIKeyKNHQYHRVQSDTPB-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.10
Rot. Bonds8

About 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292154) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163292154
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC4CCCCC4)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C25H32N6O3/c1-15(2)31-24(26)22(25(27)33)23(29-31)18-10-8-17(9-11-18)13-20(32)28-21-14-19(30-34-21)12-16-6-4-3-5-7-16/h8-11,14-16H,3-7,12-13,26H2,1-2H3,(H2,27,33)(H,28,32)
InChIKeyKNHQYHRVQSDTPB-UHFFFAOYSA-N
XLogP4.10
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.0]butanylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167058943
5-amino-3-[4-[2-[(3-benzyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163292118
5-amino-3-[4-[2-[[3-(4-fluorobutyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 167059300
5-amino-3-[4-[2-oxo-2-[[3-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765656
5-amino-3-[4-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 163291915
5-amino-3-[4-[2-oxo-2-[(3-spiro[3.3]heptan-2-yl-1,2-oxazol-5-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765585
5-amino-3-[4-[3-(3-cyclopentyl-1,2-oxazol-5-yl)-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164971281
5-amino-1-cyclopropyl-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
CID 163292051
5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 164765399
5-amino-3-[4-[3-[3-(2,2-dimethylcyclopropyl)-1,2-oxazol-5-yl]-2-oxopropyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165037193
5-amino-1-(azetidin-3-yl)-3-[4-[2-[[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]pyrazole-4-carboxamide
CID 163292001
5-amino-3-[4-[2-[(5-tert-butyl-1-methylpyrazol-3-yl)amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 165076569

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292154) is 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(CC4CCCCC4)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is KNHQYHRVQSDTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c1-15(2)31-24(26)22(25(27)33)23(29-31)18-10-8-17(9-11-18)13-20(32)28-21-14-19(30-34-21)12-16-6-4-3-5-7-16/h8-11,14-16H,3-7,12-13,26H2,1-2H3,(H2,27,33)(H,28,32).
What are the key properties of 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.10, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-[[3-(cyclohexylmethyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).