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

C24H31FN4O3 — CID 167148821

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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