1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide

C19H22F3N3O2 — CID 124733342

IUPAC1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cnn(C3CCCC3)c2C)C(F)F)cc1F
InChIInChI=1S/C19H22F3N3O2/c1-11-14(10-23-25(11)13-5-3-4-6-13)19(26)24-17(18(21)22)12-7-8-16(27-2)15(20)9-12/h7-10,13,17-18H,3-6H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyKSWALMFPBQHXIB-KRWDZBQOSA-N
MW381.40 g/mol
LogP4.19
Rot. Bonds6

About 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide (PubChem CID 124733342) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
PubChem CID124733342
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc([C@H](NC(=O)c2cnn(C3CCCC3)c2C)C(F)F)cc1F
InChIInChI=1S/C19H22F3N3O2/c1-11-14(10-23-25(11)13-5-3-4-6-13)19(26)24-17(18(21)22)12-7-8-16(27-2)15(20)9-12/h7-10,13,17-18H,3-6H2,1-2H3,(H,24,26)/t17-/m0/s1
InChIKeyKSWALMFPBQHXIB-KRWDZBQOSA-N
XLogP4.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124850417
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119692488
(9aS)-N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 129423824
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 124628027
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
1-[(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1-methyl-3-propylpyrazol-5-yl)urea
CID 124843491
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316
1-cyclopentyl-N-hept-6-en-2-yl-5-methylpyrazole-4-carboxamide
CID 166199642
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
N-[1-(2,3-difluorophenyl)ethyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 146124298
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
ethyl 1-cyclohexyl-5-methylpyrazole-4-carboxylate
CID 58861401

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide (CID 124733342) is 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide is COc1ccc([C@H](NC(=O)c2cnn(C3CCCC3)c2C)C(F)F)cc1F.
What is the InChIKey of 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is KSWALMFPBQHXIB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-11-14(10-23-25(11)13-5-3-4-6-13)19(26)24-17(18(21)22)12-7-8-16(27-2)15(20)9-12/h7-10,13,17-18H,3-6H2,1-2H3,(H,24,26)/t17-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1S)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 124733342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).