N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide

C13H12F2N4O — CID 155688305

IUPACN-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccn(CC2CC2)n1)c1c(F)cncc1F
InChIInChI=1S/C13H12F2N4O/c14-9-5-16-6-10(15)12(9)13(20)17-11-3-4-19(18-11)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,17,18,20)
InChIKeyJOKPTWFCNMXYJV-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide

N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 155688305) has the molecular formula C13H12F2N4O and a molecular weight of 278.26 g/mol. Its IUPAC name is N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID155688305
Molecular FormulaC13H12F2N4O
Molecular Weight278.26 g/mol
Exact Mass278.10
IUPAC NameN-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1ccn(CC2CC2)n1)c1c(F)cncc1F
InChIInChI=1S/C13H12F2N4O/c14-9-5-16-6-10(15)12(9)13(20)17-11-3-4-19(18-11)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,17,18,20)
InChIKeyJOKPTWFCNMXYJV-UHFFFAOYSA-N
XLogP2.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,4-diphenylbutanamide
CID 154878015
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
N-[1-[[2-chloro-6-(cyclobutylmethoxy)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
CID 59547985
N-[1-[[5-amino-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2,6-difluorobenzamide
CID 59547994
1-(cyclopropylmethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967016
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 166282636
2-fluoro-6-hydroxy-N-[1-(3-methoxypropyl)pyrazol-3-yl]benzamide
CID 100616220
methyl 5-[[1-(2,2-difluoroethyl)pyrazol-3-yl]carbamoyl]pyridine-3-carboxylate
CID 71905723
3,5-difluoro-N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]pyridine-4-carboxamide
CID 146110385
1-N,1-N'-bis[1-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1,1-dicarboxamide
CID 166227497
N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 35273830

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide (CID 155688305) is N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1ccn(CC2CC2)n1)c1c(F)cncc1F.
What is the InChIKey of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is JOKPTWFCNMXYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N4O/c14-9-5-16-6-10(15)12(9)13(20)17-11-3-4-19(18-11)7-8-1-2-8/h3-6,8H,1-2,7H2,(H,17,18,20).
What are the key properties of N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide?
N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 278.26 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylmethyl)pyrazol-3-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 155688305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).