N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C14H16FN3O — CID 47245202

IUPACN-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C14H16FN3O/c1-8(2)11-7-13(18-17-11)14(19)16-12-6-10(15)5-4-9(12)3/h4-8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyMJOINUSHZUGSHH-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.23
Rot. Bonds3

About N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 47245202) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID47245202
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C14H16FN3O/c1-8(2)11-7-13(18-17-11)14(19)16-12-6-10(15)5-4-9(12)3/h4-8H,1-3H3,(H,16,19)(H,17,18)
InChIKeyMJOINUSHZUGSHH-UHFFFAOYSA-N
XLogP3.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600396
N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 50965624
N-(5-fluoro-2-methylphenyl)-2-propan-2-yl-1H-imidazole-5-carboxamide
CID 86768472
N-[(4-fluorophenyl)methylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 761805
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166323565
N-(5-fluoro-2-methylphenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62166760
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 31456332
4-amino-N-(5-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62155744
N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
N-(2-amino-5-methoxyphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119420641
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 47245202) is N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MJOINUSHZUGSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(2)11-7-13(18-17-11)14(19)16-12-6-10(15)5-4-9(12)3/h4-8H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47245202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).