2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide

C30H28N4O — CID 42796283

IUPAC2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)Cc1cnc2ccccc2c1
InChIInChI=1S/C30H28N4O/c1-3-34-29(17-22(2)32-34)30(35)33(21-24-18-27-11-7-8-12-28(27)31-19-24)20-23-13-15-26(16-14-23)25-9-5-4-6-10-25/h4-19H,3,20-21H2,1-2H3
InChIKeyYRZNGFLHLYYENL-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.27
Rot. Bonds7

About 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide

2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 42796283) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID42796283
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)Cc1cnc2ccccc2c1
InChIInChI=1S/C30H28N4O/c1-3-34-29(17-22(2)32-34)30(35)33(21-24-18-27-11-7-8-12-28(27)31-19-24)20-23-13-15-26(16-14-23)25-9-5-4-6-10-25/h4-19H,3,20-21H2,1-2H3
InChIKeyYRZNGFLHLYYENL-UHFFFAOYSA-N
XLogP6.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-N-[(4-phenylphenyl)methyl]pyrazole-3-carboxamide
CID 42796190
N-(3-amino-3-oxopropyl)-N-benzyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 60619816
2-ethyl-5-methyl-N-phenyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 42789348
N-benzyl-2-ethyl-5-methyl-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
CID 42796160
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
N-(1,3-benzodioxol-5-ylmethyl)-2-ethyl-5-methyl-N-[(2-phenylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 42791822
ethyl 2-[benzyl(quinoline-3-carbonyl)amino]acetate
CID 165352865
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 79668480
N-[[3-(aminomethyl)phenyl]methyl]-2-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 66128449
N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 91781862
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide (CID 42796283) is 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(Cc1ccc(-c2ccccc2)cc1)Cc1cnc2ccccc2c1.
What is the InChIKey of 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is YRZNGFLHLYYENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-3-34-29(17-22(2)32-34)30(35)33(21-24-18-27-11-7-8-12-28(27)31-19-24)20-23-13-15-26(16-14-23)25-9-5-4-6-10-25/h4-19H,3,20-21H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide?
2-ethyl-5-methyl-N-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 6.27, 7 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-[(4-phenylphenyl)methyl]-N-(quinolin-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 42796283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).