1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide

C21H18FN5O — CID 46963442

IUPAC1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide
SMILESCn1nccc1C(NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C21H18FN5O/c1-26-19(11-12-23-26)20(15-5-3-2-4-6-15)25-21(28)16-13-24-27(14-16)18-9-7-17(22)8-10-18/h2-14,20H,1H3,(H,25,28)
InChIKeyXUKLKRWROXQBNG-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.26
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide (PubChem CID 46963442) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide
PubChem CID46963442
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide
SMILESCn1nccc1C(NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C21H18FN5O/c1-26-19(11-12-23-26)20(15-5-3-2-4-6-15)25-21(28)16-13-24-27(14-16)18-9-7-17(22)8-10-18/h2-14,20H,1H3,(H,25,28)
InChIKeyXUKLKRWROXQBNG-UHFFFAOYSA-N
XLogP3.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 24625573
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-1-phenylpyrazole-4-carboxamide
CID 51646823
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
N-[2-(dimethylamino)-2-(2-fluorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 16677386
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
N-[1-(3-bromophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46582044
1-[1-(4-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 171484231
N-[(S)-cyano-(2,4-difluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 95618021
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
N-(1-chlorobutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 114294313

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide (CID 46963442) is 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide is Cn1nccc1C(NC(=O)c1cnn(-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide?
The InChIKey is XUKLKRWROXQBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-26-19(11-12-23-26)20(15-5-3-2-4-6-15)25-21(28)16-13-24-27(14-16)18-9-7-17(22)8-10-18/h2-14,20H,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methylpyrazol-3-yl)-phenylmethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46963442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).