N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

C19H17FN4O — CID 47850677

IUPACN-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C19H17FN4O/c20-14-4-3-6-17(12-14)24-11-9-18(22-24)19(25)23(16-7-8-16)13-15-5-1-2-10-21-15/h1-6,9-12,16H,7-8,13H2
InChIKeyDOEXSIUOMLQSLY-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.21
Rot. Bonds5

About N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide

N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (PubChem CID 47850677) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
PubChem CID47850677
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
SMILESO=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C19H17FN4O/c20-14-4-3-6-17(12-14)24-11-9-18(22-24)19(25)23(16-7-8-16)13-15-5-1-2-10-21-15/h1-6,9-12,16H,7-8,13H2
InChIKeyDOEXSIUOMLQSLY-UHFFFAOYSA-N
XLogP3.21
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 55651081
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397
2-[cyclopropyl-(1-phenylpyrazole-3-carbonyl)amino]acetic acid
CID 60827395
N-cyclopentyl-5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46970583
5-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81317198
1-(3-fluorophenyl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 86844455
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
N-cyclohexyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide
CID 74234463
N-cyclohexyl-1-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 74232119
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide (CID 47850677) is N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is O=C(c1ccn(-c2cccc(F)c2)n1)N(Cc1ccccn1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is DOEXSIUOMLQSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-14-4-3-6-17(12-14)24-11-9-18(22-24)19(25)23(16-7-8-16)13-15-5-1-2-10-21-15/h1-6,9-12,16H,7-8,13H2.
What are the key properties of N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide?
N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47850677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).