1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C26H28F2N4O2 — CID 55801148

IUPAC1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC(C)O1
InChIInChI=1S/C26H28F2N4O2/c1-16-13-31(14-17(2)34-16)15-18-6-3-4-8-23(18)29-26(33)25-20-7-5-9-24(20)32(30-25)19-10-11-21(27)22(28)12-19/h3-4,6,8,10-12,16-17H,5,7,9,13-15H2,1-2H3,(H,29,33)
InChIKeyKRFJUWZDNOTBOB-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.50
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55801148) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55801148
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC(C)O1
InChIInChI=1S/C26H28F2N4O2/c1-16-13-31(14-17(2)34-16)15-18-6-3-4-8-23(18)29-26(33)25-20-7-5-9-24(20)32(30-25)19-10-11-21(27)22(28)12-19/h3-4,6,8,10-12,16-17H,5,7,9,13-15H2,1-2H3,(H,29,33)
InChIKeyKRFJUWZDNOTBOB-UHFFFAOYSA-N
XLogP4.50
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-9-(2,4-difluorophenyl)-N-(2-methyl-1-morpholin-4-ylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720570
(2R,4R)-9-(2,5-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720578
1-(4-Fluorophenyl)-2-[4-(5-methyl-2-phenyl-2H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 46901909
(1aR,5aR)-2-(2,4-Difluoro-phenyl)-1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic Acid (2-Hydroxy-1,1-dimethyl-ethyl)-amide
CID 50915132
(2R,4R)-9-(2-morpholin-4-ylethyl)-N-(2-phenylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 86669645
(1aS,5aS)-2-(2,4-Difluoro-phenyl)-1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic Acid (Tetrahydro-pyran-4-ylmethyl)-amide
CID 86688570
(2R,4R)-9-(2,4-difluorophenyl)-N-(oxan-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720568
(2R,4R)-9-(2,4-difluorophenyl)-N-(oxan-4-ylmethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720569
(2S,4S)-9-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720572
(2S,4S)-9-(2,4-difluorophenyl)-N-(oxan-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 118720573
4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 2558643
4-(3,5-dimethylpyrazol-1-yl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677697

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55801148) is 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC1CN(Cc2ccccc2NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)CC(C)O1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KRFJUWZDNOTBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c1-16-13-31(14-17(2)34-16)15-18-6-3-4-8-23(18)29-26(33)25-20-7-5-9-24(20)32(30-25)19-10-11-21(27)22(28)12-19/h3-4,6,8,10-12,16-17H,5,7,9,13-15H2,1-2H3,(H,29,33).
What are the key properties of 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55801148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).