N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide

C14H14F2N4O — CID 91760362

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ncc(F)cc1F
InChIInChI=1S/C14H14F2N4O/c1-20(7-10-5-12(19-18-10)8-2-3-8)14(21)13-11(16)4-9(15)6-17-13/h4-6,8H,2-3,7H2,1H3,(H,18,19)
InChIKeyHAZXCXNLULGQTO-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.23
Rot. Bonds4

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide (PubChem CID 91760362) has the molecular formula C14H14F2N4O and a molecular weight of 292.29 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide
PubChem CID91760362
Molecular FormulaC14H14F2N4O
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ncc(F)cc1F
InChIInChI=1S/C14H14F2N4O/c1-20(7-10-5-12(19-18-10)8-2-3-8)14(21)13-11(16)4-9(15)6-17-13/h4-6,8H,2-3,7H2,1H3,(H,18,19)
InChIKeyHAZXCXNLULGQTO-UHFFFAOYSA-N
XLogP2.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 154887169
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-2-pyrrolidin-3-ylbenzamide;hydrochloride
CID 154895225
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 70737422
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
CID 91776280
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
3-(4-chloro-2-methylphenyl)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-methylurea
CID 72933177
2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(4-hydroxyphenyl)acetic acid
CID 72916606
(2S)-2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 97207243
2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-(2-fluoro-5-methoxyphenyl)acetic acid
CID 72925892
N-cyclohexyl-3,5-difluoro-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 154871027
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-[3-(diethylaminomethyl)phenyl]-1-methylurea
CID 72861499
5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide (CID 91760362) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1ncc(F)cc1F.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide?
The InChIKey is HAZXCXNLULGQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O/c1-20(7-10-5-12(19-18-10)8-2-3-8)14(21)13-11(16)4-9(15)6-17-13/h4-6,8H,2-3,7H2,1H3,(H,18,19).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide has a molecular weight of 292.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3,5-difluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 91760362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).