N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

C19H17F2N3O2 — CID 99811467

IUPACN-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17F2N3O2/c1-12(18-15(21)7-4-8-17(18)26-2)22-19(25)16-9-10-24(23-16)14-6-3-5-13(20)11-14/h3-12H,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyUIMKJZPOWJTCMT-LBPRGKRZSA-N
MW357.36 g/mol
LogP3.65
Rot. Bonds5

About N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide

N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 99811467) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID99811467
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC NameN-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(F)c1[C@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C19H17F2N3O2/c1-12(18-15(21)7-4-8-17(18)26-2)22-19(25)16-9-10-24(23-16)14-6-3-5-13(20)11-14/h3-12H,1-2H3,(H,22,25)/t12-/m0/s1
InChIKeyUIMKJZPOWJTCMT-LBPRGKRZSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 43071731
methyl 5-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 75440273
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71998489
1-(3-fluorophenyl)-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 47859630
1-(3-aminophenyl)-N-propan-2-ylpyrazole-3-carboxamide
CID 43475412
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 55667928
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47896374
1-(3-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480306
1-(3-fluorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-3-carbohydrazide
CID 47879002
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-3-carboxamide
CID 94677135
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide (CID 99811467) is N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide is COc1cccc(F)c1[C@H](C)NC(=O)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is UIMKJZPOWJTCMT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-12(18-15(21)7-4-8-17(18)26-2)22-19(25)16-9-10-24(23-16)14-6-3-5-13(20)11-14/h3-12H,1-2H3,(H,22,25)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide?
N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 99811467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).