1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide

C21H20FN3O — CID 134026765

IUPAC1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(c3ccccc3)CC2)cnn1-c1ccccc1F
InChIInChI=1S/C21H20FN3O/c1-15-17(13-24-25(15)19-10-6-5-9-18(19)22)20(26)23-14-21(11-12-21)16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyAMJQCESRPDBWJE-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide (PubChem CID 134026765) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
PubChem CID134026765
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(c3ccccc3)CC2)cnn1-c1ccccc1F
InChIInChI=1S/C21H20FN3O/c1-15-17(13-24-25(15)19-10-6-5-9-18(19)22)20(26)23-14-21(11-12-21)16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,26)
InChIKeyAMJQCESRPDBWJE-UHFFFAOYSA-N
XLogP3.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217584
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 38442047
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide (CID 134026765) is 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCC2(c3ccccc3)CC2)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide?
The InChIKey is AMJQCESRPDBWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-15-17(13-24-25(15)19-10-6-5-9-18(19)22)20(26)23-14-21(11-12-21)16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,26).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134026765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).