N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide

C21H23N3O — CID 42758335

IUPACN,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)nn1-c1cccc(C)c1
InChIInChI=1S/C21H23N3O/c1-4-23(5-2)21(25)20-15-19(17-11-7-6-8-12-17)22-24(20)18-13-9-10-16(3)14-18/h6-15H,4-5H2,1-3H3
InChIKeyBCXYYVGMGUXCRB-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.33
Rot. Bonds5

About N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide

N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 42758335) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID42758335
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)nn1-c1cccc(C)c1
InChIInChI=1S/C21H23N3O/c1-4-23(5-2)21(25)20-15-19(17-11-7-6-8-12-17)22-24(20)18-13-9-10-16(3)14-18/h6-15H,4-5H2,1-3H3
InChIKeyBCXYYVGMGUXCRB-UHFFFAOYSA-N
XLogP4.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3919541
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 1053873
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 42758347
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370949
3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxylate
CID 6946121
3-(4-fluorophenyl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7499258

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide (CID 42758335) is N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide is CCN(CC)C(=O)c1cc(-c2ccccc2)nn1-c1cccc(C)c1.
What is the InChIKey of N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is BCXYYVGMGUXCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-23(5-2)21(25)20-15-19(17-11-7-6-8-12-17)22-24(20)18-13-9-10-16(3)14-18/h6-15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 42758335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).