N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide

C19H19N3O — CID 35324488

IUPACN-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1C
InChIInChI=1S/C19H19N3O/c1-14-12-18(21-22(14)2)19(23)20-17-11-7-6-10-16(17)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyRZRAKMSFMCPKQM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.57
Rot. Bonds4

About N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide

N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 35324488) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID35324488
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1C
InChIInChI=1S/C19H19N3O/c1-14-12-18(21-22(14)2)19(23)20-17-11-7-6-10-16(17)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,20,23)
InChIKeyRZRAKMSFMCPKQM-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110858370
N-(2-benzylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
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N-(2-benzylphenyl)pyrazine-2-carboxamide
CID 1247505
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CID 35294770
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CID 119366410
N-(2-benzylphenyl)-2,5-dimethylthiophene-3-carboxamide
CID 9327727
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
N-[3-(ethylaminomethyl)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 119438262
1,5-dimethyl-N-[2-(naphthalen-1-ylcarbamoylamino)ethyl]pyrazole-3-carboxamide
CID 17025902
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CID 108813453

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide (CID 35324488) is N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1C.
What is the InChIKey of N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is RZRAKMSFMCPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-12-18(21-22(14)2)19(23)20-17-11-7-6-10-16(17)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,20,23).
What are the key properties of N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 35324488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).