N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C19H20N4O2 — CID 34244817

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)c2C)c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12-9-13(2)22-19(25)16(12)10-20-18(24)17-11-21-23(14(17)3)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyLLWAEAQGDHLXKV-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.42
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 34244817) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID34244817
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)c2C)c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12-9-13(2)22-19(25)16(12)10-20-18(24)17-11-21-23(14(17)3)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3,(H,20,24)(H,22,25)
InChIKeyLLWAEAQGDHLXKV-UHFFFAOYSA-N
XLogP2.42
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 2776448
N4-(4-fluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2808002
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}acetamide
CID 833517
5-methyl-N-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 832949
N-{4-[(3-methyl-1H-pyrazol-1-yl)carbonyl]phenyl}butanamide
CID 833520
N-(3,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850328
5-methyl-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850329

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 34244817) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is LLWAEAQGDHLXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-9-13(2)22-19(25)16(12)10-20-18(24)17-11-21-23(14(17)3)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3,(H,20,24)(H,22,25).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 34244817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).