2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

C19H20N4O — CID 42789348

IUPAC2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-3-23-18(12-15(2)21-23)19(24)22(17-9-5-4-6-10-17)14-16-8-7-11-20-13-16/h4-13H,3,14H2,1-2H3
InChIKeyKLZXOLDXDJBSBI-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.45
Rot. Bonds5

About 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide

2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42789348) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID42789348
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-3-23-18(12-15(2)21-23)19(24)22(17-9-5-4-6-10-17)14-16-8-7-11-20-13-16/h4-13H,3,14H2,1-2H3
InChIKeyKLZXOLDXDJBSBI-UHFFFAOYSA-N
XLogP3.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-N-(3-phenylcyclohexyl)-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42796424
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
1-(3,4-dimethylphenyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 110360929
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
N-benzyl-3-ethyl-N-(4-fluorophenyl)triazole-4-carboxamide
CID 166387772
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744
3-methylsulfonyl-N-phenyl-N-(pyridin-3-ylmethyl)benzamide
CID 110619955
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
3-(2-methylpropyl)-1-phenyl-1-(pyridin-3-ylmethyl)urea
CID 110426401
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 42796283

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide (CID 42789348) is 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is KLZXOLDXDJBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-23-18(12-15(2)21-23)19(24)22(17-9-5-4-6-10-17)14-16-8-7-11-20-13-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42789348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).