1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

C21H27FN4O2 — CID 123311339

IUPAC1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESCC1CC(OCC2CC2)CCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C21H27FN4O2/c1-13-10-17(28-12-14-2-3-14)8-9-19(13)26-11-18(20(23)27)21(25-26)24-16-6-4-15(22)5-7-16/h4-7,11,13-14,17,19H,2-3,8-10,12H2,1H3,(H2,23,27)(H,24,25)
InChIKeyABMKFJDICVPRBG-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.02
Rot. Bonds7

About 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide

1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (PubChem CID 123311339) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
PubChem CID123311339
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
SMILESCC1CC(OCC2CC2)CCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C21H27FN4O2/c1-13-10-17(28-12-14-2-3-14)8-9-19(13)26-11-18(20(23)27)21(25-26)24-16-6-4-15(22)5-7-16/h4-7,11,13-14,17,19H,2-3,8-10,12H2,1H3,(H2,23,27)(H,24,25)
InChIKeyABMKFJDICVPRBG-UHFFFAOYSA-N
XLogP4.02
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-2-cyano-4-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 130286232
1-[(1S,2S,5R)-5-(dimethylamino)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89471083
1-[(1S,2S,4R)-4-[cyclopropylmethyl(methyl)amino]-2-methylcyclohexyl]-3-[4-(trifluoromethyl)anilino]pyrazole-4-carboxamide
CID 130285438
1-[(2S,4S)-4-amino-2-cyanocyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 90367381
cyclopropylmethyl 4-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-2-cyanopiperidine-1-carboxylate
CID 129185267
1-[(1S,2S,4S)-2-cyano-4-(methylamino)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 89471480
cis-methyl (1S,3S)-4-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-3-cyanocyclohexane-1-carboxylate
CID 90367168
2,2,2-trifluoroethyl (3S,4R)-3-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-4-methylpiperidine-1-carboxylate
CID 129199273
1-[2-[(1R)-1-aminoethyl]-4-(diazenylmethyl)cyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 144556313
tert-butyl N-[[(3S,4S)-3-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-4-cyanocyclohexyl]methyl]carbamate
CID 89471086
1-[(1S,4R)-2-cyano-4-hydroxycyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 130284723
3-(4-methylanilino)-1-[(1S,2S,4S)-2-methyl-4-(2,2,2-trifluoroethylcarbamoyl)cyclohexyl]pyrazole-4-carboxamide
CID 144556167

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide (CID 123311339) is 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is CC1CC(OCC2CC2)CCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
The InChIKey is ABMKFJDICVPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-13-10-17(28-12-14-2-3-14)8-9-19(13)26-11-18(20(23)27)21(25-26)24-16-6-4-15(22)5-7-16/h4-7,11,13-14,17,19H,2-3,8-10,12H2,1H3,(H2,23,27)(H,24,25).
What are the key properties of 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide?
1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-2-methylcyclohexyl]-3-(4-fluoroanilino)pyrazole-4-carboxamide is sourced from PubChem (CID 123311339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).