N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

C18H15ClFN3O — CID 38704884

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl
InChIInChI=1S/C18H15ClFN3O/c1-12(15-4-2-3-5-16(15)19)21-18(24)17-10-11-23(22-17)14-8-6-13(20)7-9-14/h2-12H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyXAJWOADCIGCSAM-GFCCVEGCSA-N
MW343.79 g/mol
LogP4.16
Rot. Bonds4

About N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 38704884) has the molecular formula C18H15ClFN3O and a molecular weight of 343.79 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID38704884
Molecular FormulaC18H15ClFN3O
Molecular Weight343.79 g/mol
Exact Mass343.09
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl
InChIInChI=1S/C18H15ClFN3O/c1-12(15-4-2-3-5-16(15)19)21-18(24)17-10-11-23(22-17)14-8-6-13(20)7-9-14/h2-12H,1H3,(H,21,24)/t12-/m1/s1
InChIKeyXAJWOADCIGCSAM-GFCCVEGCSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 43071731
N-[1-(1-benzofuran-2-yl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 46438047
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
CID 78868120
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-hydroxybenzamide
CID 115298970
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 112820972
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
2-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluorobenzamide
CID 46684203
N-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 99811467
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-[1-(2-chlorophenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 42905859

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide (CID 38704884) is N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)c1ccccc1Cl.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is XAJWOADCIGCSAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15ClFN3O/c1-12(15-4-2-3-5-16(15)19)21-18(24)17-10-11-23(22-17)14-8-6-13(20)7-9-14/h2-12H,1H3,(H,21,24)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 343.79 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 38704884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).