N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide

C24H31FN4O3 — CID 167148821

IUPACN-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
SMILESCc1[nH]nc(C(C)O)c1-c1ccc(NC(=O)C(NC(=O)C2(F)CC2)C2CCCCC2)cc1
InChIInChI=1S/C24H31FN4O3/c1-14-19(20(15(2)30)29-28-14)16-8-10-18(11-9-16)26-22(31)21(17-6-4-3-5-7-17)27-23(32)24(25)12-13-24/h8-11,15,17,21,30H,3-7,12-13H2,1-2H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyUDFAPJVRRUAYQR-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.94
Rot. Bonds7

About N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide

N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 167148821) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
PubChem CID167148821
Molecular FormulaC24H31FN4O3
Molecular Weight442.54 g/mol
Exact Mass442.24
IUPAC NameN-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
SMILESCc1[nH]nc(C(C)O)c1-c1ccc(NC(=O)C(NC(=O)C2(F)CC2)C2CCCCC2)cc1
InChIInChI=1S/C24H31FN4O3/c1-14-19(20(15(2)30)29-28-14)16-8-10-18(11-9-16)26-22(31)21(17-6-4-3-5-7-17)27-23(32)24(25)12-13-24/h8-11,15,17,21,30H,3-7,12-13H2,1-2H3,(H,26,31)(H,27,32)(H,28,29)
InChIKeyUDFAPJVRRUAYQR-UHFFFAOYSA-N
XLogP3.94
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 175152370
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 156904253
N-[(1S)-1-[(1S)-3,3-difluorocyclohexyl]-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 156779252
2-cyclohexyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-2-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]acetamide
CID 154944163
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-cyclopropylpyrazole-3-carboxamide
CID 156779285
N-[(1S)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxo-1-[(1R)-6-(6-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]ethyl]-1-fluorocyclopropane-1-carboxamide
CID 155101440
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 156779480
2-amino-2-cyclohexyl-N-[4-(3-methoxy-5-methyl-1H-pyrazol-4-yl)phenyl]acetamide;dihydrochloride
CID 154944128
2-but-3-en-2-yl-N-[1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]pyrazole-3-carboxamide
CID 176668391
N-[(1S)-1-cyclohexyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 146909195
N-[(1S)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-[(1R)-7-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide
CID 155101328
N-[(1S)-1-cycloheptyl-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-2-oxoethyl]-2-[3-(2-methoxyethoxy)propyl]pyrazole-3-carboxamide
CID 177146963

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide (CID 167148821) is N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide is Cc1[nH]nc(C(C)O)c1-c1ccc(NC(=O)C(NC(=O)C2(F)CC2)C2CCCCC2)cc1.
What is the InChIKey of N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is UDFAPJVRRUAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O3/c1-14-19(20(15(2)30)29-28-14)16-8-10-18(11-9-16)26-22(31)21(17-6-4-3-5-7-17)27-23(32)24(25)12-13-24/h8-11,15,17,21,30H,3-7,12-13H2,1-2H3,(H,26,31)(H,27,32)(H,28,29).
What are the key properties of N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide?
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 3.94, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 167148821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).