2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide

C19H17F2N3O2 — CID 51596087

IUPAC2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccnn2C(F)F)c2ccccc2)cc1
InChIInChI=1S/C19H17F2N3O2/c1-26-15-9-7-14(8-10-15)17(13-5-3-2-4-6-13)23-18(25)16-11-12-22-24(16)19(20)21/h2-12,17,19H,1H3,(H,23,25)/t17-/m0/s1
InChIKeyDZYXQPMDAZMYFK-KRWDZBQOSA-N
MW357.36 g/mol
LogP3.81
Rot. Bonds6

About 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide (PubChem CID 51596087) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
PubChem CID51596087
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide
SMILESCOc1ccc([C@@H](NC(=O)c2ccnn2C(F)F)c2ccccc2)cc1
InChIInChI=1S/C19H17F2N3O2/c1-26-15-9-7-14(8-10-15)17(13-5-3-2-4-6-13)23-18(25)16-11-12-22-24(16)19(20)21/h2-12,17,19H,1H3,(H,23,25)/t17-/m0/s1
InChIKeyDZYXQPMDAZMYFK-KRWDZBQOSA-N
XLogP3.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 51587792
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
3,6-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]pyridine-2-carboxamide
CID 46523092
2-[(R)-carboxy-(4-methoxyphenyl)methyl]pyrazole-3-carboxylic acid
CID 97455871
N-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
CID 52786837
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide (CID 51596087) is 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide is COc1ccc([C@@H](NC(=O)c2ccnn2C(F)F)c2ccccc2)cc1.
What is the InChIKey of 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide?
The InChIKey is DZYXQPMDAZMYFK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-26-15-9-7-14(8-10-15)17(13-5-3-2-4-6-13)23-18(25)16-11-12-22-24(16)19(20)21/h2-12,17,19H,1H3,(H,23,25)/t17-/m0/s1.
What are the key properties of 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 51596087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).