N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide

C19H18F2N4O — CID 46957288

IUPACN-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCc1cccc(CN(Cc2ccccc2)C(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C19H18F2N4O/c1-14-6-5-9-16(22-14)13-24(12-15-7-3-2-4-8-15)18(26)17-10-11-25(23-17)19(20)21/h2-11,19H,12-13H2,1H3
InChIKeyLUJFMWKVISMJAW-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.82
Rot. Bonds6

About N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide

N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide (PubChem CID 46957288) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
PubChem CID46957288
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide
SMILESCc1cccc(CN(Cc2ccccc2)C(=O)c2ccn(C(F)F)n2)n1
InChIInChI=1S/C19H18F2N4O/c1-14-6-5-9-16(22-14)13-24(12-15-7-3-2-4-8-15)18(26)17-10-11-25(23-17)19(20)21/h2-11,19H,12-13H2,1H3
InChIKeyLUJFMWKVISMJAW-UHFFFAOYSA-N
XLogP3.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(difluoromethyl)-N-[(4-ethoxyphenyl)methyl]-N-ethylpyrazole-3-carboxamide
CID 131896834
1-benzyl-1-[(6-methyl-2-pyridinyl)methyl]-3-(3-methylsulfanylpropyl)urea
CID 119073642
N,N-bis[(6-methyl-2-pyridinyl)methyl]thiadiazole-4-carboxamide
CID 71860017
6-bromo-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 103890041
1-(difluoromethyl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 91795608
N-ethyl-2-fluoro-6-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 104918138
(2S,3S)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332675
(2R,3R)-N-benzyl-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 97332672
N,N'-dibenzyl-N,N'-bis[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 102375752
1-benzyl-3-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]urea
CID 119070210
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide (CID 46957288) is N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide is Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccn(C(F)F)n2)n1.
What is the InChIKey of N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
The InChIKey is LUJFMWKVISMJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-14-6-5-9-16(22-14)13-24(12-15-7-3-2-4-8-15)18(26)17-10-11-25(23-17)19(20)21/h2-11,19H,12-13H2,1H3.
What are the key properties of N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide?
N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(difluoromethyl)-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 46957288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).