1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide

C20H22FN3OS — CID 2373019

IUPAC1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCC[C@@H]3C)cc12
InChIInChI=1S/C20H22FN3OS/c1-12-5-3-4-6-17(12)22-19(25)18-11-16-13(2)23-24(20(16)26-18)15-9-7-14(21)8-10-15/h7-12,17H,3-6H2,1-2H3,(H,22,25)/t12-,17-/m0/s1
InChIKeyAYENZBQNXFOQGQ-SJCJKPOMSA-N
MW371.48 g/mol
LogP4.84
Rot. Bonds3

About 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide

1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2373019) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2373019
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCC[C@@H]3C)cc12
InChIInChI=1S/C20H22FN3OS/c1-12-5-3-4-6-17(12)22-19(25)18-11-16-13(2)23-24(20(16)26-18)15-9-7-14(21)8-10-15/h7-12,17H,3-6H2,1-2H3,(H,22,25)/t12-,17-/m0/s1
InChIKeyAYENZBQNXFOQGQ-SJCJKPOMSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-3-methyl-N-(3-methylpiperidin-4-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 120554023
cis-(1R,3S)-3-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677354
1-(4-fluorophenyl)-3-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 55723438
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 78794561
methyl 2-[[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]acetate
CID 27682291
1-(4-chlorophenyl)-N-cyclopropyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 947337
[2-(cycloheptylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3660465
N-(3-aminopropyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119404788
1-(4-fluorophenyl)-3-methyl-N-pyridin-2-ylthieno[3,2-d]pyrazole-5-carboxamide
CID 18107121
1-(4-fluorophenyl)-3-methyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119554944
1-(4-fluorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 38212810
1-(4-fluorophenyl)-3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 60544842

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide (CID 2373019) is 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H]3CCCC[C@@H]3C)cc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is AYENZBQNXFOQGQ-SJCJKPOMSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-12-5-3-4-6-17(12)22-19(25)18-11-16-13(2)23-24(20(16)26-18)15-9-7-14(21)8-10-15/h7-12,17H,3-6H2,1-2H3,(H,22,25)/t12-,17-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide?
1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-N-[(1S,2S)-2-methylcyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2373019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).