5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide

C14H15FN4O — CID 166285161

IUPAC5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESNc1c(C(=O)NCC2CC2)cnn1-c1ccccc1F
InChIInChI=1S/C14H15FN4O/c15-11-3-1-2-4-12(11)19-13(16)10(8-18-19)14(20)17-7-9-5-6-9/h1-4,8-9H,5-7,16H2,(H,17,20)
InChIKeyVCUDMBUUTKSXPD-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.73
Rot. Bonds4

About 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide

5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 166285161) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
PubChem CID166285161
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESNc1c(C(=O)NCC2CC2)cnn1-c1ccccc1F
InChIInChI=1S/C14H15FN4O/c15-11-3-1-2-4-12(11)19-13(16)10(8-18-19)14(20)17-7-9-5-6-9/h1-4,8-9H,5-7,16H2,(H,17,20)
InChIKeyVCUDMBUUTKSXPD-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 33383595
1-(2-fluorophenyl)-5-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 38442047
5-amino-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 95807304
[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(4-chlorophenyl)methanone
CID 91871204
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-(cyclopropylmethyl)-3-fluoro-2-hydrazinylbenzamide
CID 62660969
5-amino-N-[[4-[[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]cyclohexyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 134141966
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
N-[(4-chlorocyclohexyl)methyl]-2,3-difluorobenzamide
CID 114147871

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide (CID 166285161) is 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide is Nc1c(C(=O)NCC2CC2)cnn1-c1ccccc1F.
What is the InChIKey of 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is VCUDMBUUTKSXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-3-1-2-4-12(11)19-13(16)10(8-18-19)14(20)17-7-9-5-6-9/h1-4,8-9H,5-7,16H2,(H,17,20).
What are the key properties of 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide?
5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclopropylmethyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166285161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).