N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C14H16FN3O — CID 24638552

IUPACN-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-9(2)17-14(19)12-8-16-18-13(12)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNVVUMSCEGHIZKJ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.74
Rot. Bonds4

About N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 24638552) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID24638552
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-3-9(2)17-14(19)12-8-16-18-13(12)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNVVUMSCEGHIZKJ-UHFFFAOYSA-N
XLogP2.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536
5-(4-ethylphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 71824394
5-(4-ethylphenyl)-N-[(2S)-4-phenylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 95795191
5-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 53490374
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43054134
N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824635
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
N-[(2S)-butan-2-yl]-4-(dimethylamino)-2-(4-fluorophenyl)pyrimidine-5-carboxamide
CID 93140853
5-(3-fluorophenyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 95202437
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 24638552) is N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is CCC(C)NC(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is NVVUMSCEGHIZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-9(2)17-14(19)12-8-16-18-13(12)10-4-6-11(15)7-5-10/h4-9H,3H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24638552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).