N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

C22H19N5O2 — CID 39677202

IUPACN-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2)c2ccccc2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C22H19N5O2/c1-15-18(14-23-27(15)19-12-13-20(28)26-25-19)22(29)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,24,29)(H,26,28)
InChIKeyYHWIKUXYZWLRGS-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.78
Rot. Bonds5

About N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide

N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 39677202) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID39677202
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2)c2ccccc2)cnn1-c1ccc(=O)[nH]n1
InChIInChI=1S/C22H19N5O2/c1-15-18(14-23-27(15)19-12-13-20(28)26-25-19)22(29)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,24,29)(H,26,28)
InChIKeyYHWIKUXYZWLRGS-UHFFFAOYSA-N
XLogP2.78
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(6-oxo-1H-pyridazin-3-yl)-N-(2-phenylsulfanylphenyl)pyrazole-4-carboxamide
CID 167968258
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 60554934
5-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 146087347
N-(2,4-dichlorophenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24671988
N-[2-(methoxymethyl)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 47036083
N-[3-(dimethylcarbamoylamino)-2-methylphenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 167868860
3-[4-(4-benzylpiperazine-1-carbonyl)-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 24650028
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 119525632
N-(5-fluoro-2-methylphenyl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 86919857
5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508
N-(9H-fluoren-2-yl)-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 39126414
N-[4-(2-methoxyphenoxy)phenyl]-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide
CID 24675685

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide (CID 39677202) is N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)cnn1-c1ccc(=O)[nH]n1.
What is the InChIKey of N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is YHWIKUXYZWLRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-15-18(14-23-27(15)19-12-13-20(28)26-25-19)22(29)24-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,24,29)(H,26,28).
What are the key properties of N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide?
N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-5-methyl-1-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 39677202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).