N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide

C15H16F2N4O — CID 136564730

IUPACN-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC(c2cccnc2)C2CC2)cc1C(F)F
InChIInChI=1S/C15H16F2N4O/c1-21-12(14(16)17)7-11(20-21)15(22)19-13(9-4-5-9)10-3-2-6-18-8-10/h2-3,6-9,13-14H,4-5H2,1H3,(H,19,22)
InChIKeyLUSSWYJZWJLFPF-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.63
Rot. Bonds5

About N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide

N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide (PubChem CID 136564730) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
PubChem CID136564730
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC NameN-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC(c2cccnc2)C2CC2)cc1C(F)F
InChIInChI=1S/C15H16F2N4O/c1-21-12(14(16)17)7-11(20-21)15(22)19-13(9-4-5-9)10-3-2-6-18-8-10/h2-3,6-9,13-14H,4-5H2,1H3,(H,19,22)
InChIKeyLUSSWYJZWJLFPF-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
CID 91629779
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 100699381
5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 136586319
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
5-(difluoromethyl)-N-[3-hydroxy-1-(oxan-4-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 136564873
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
1-[[cyclopropyl(pyridin-3-yl)methyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122008111
N-[cyclopropyl(phenyl)methyl]-5-methylpyrazine-2-carboxamide
CID 42929264
2-cyclopropyl-2-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119213991
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
[cyclopropyl(pyridin-3-yl)methyl]hydrazine
CID 89323342

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide (CID 136564730) is N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC(c2cccnc2)C2CC2)cc1C(F)F.
What is the InChIKey of N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is LUSSWYJZWJLFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-21-12(14(16)17)7-11(20-21)15(22)19-13(9-4-5-9)10-3-2-6-18-8-10/h2-3,6-9,13-14H,4-5H2,1H3,(H,19,22).
What are the key properties of N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide?
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136564730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).