N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide

C21H23N3O — CID 42352839

IUPACN-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-16-20(15-24(2)23-16)21(25)22-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H,22,25)
InChIKeyFEZOPWUUKCAEKJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.68
Rot. Bonds6

About N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 42352839) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID42352839
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O/c1-16-20(15-24(2)23-16)21(25)22-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H,22,25)
InChIKeyFEZOPWUUKCAEKJ-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 16095400
Sedaxane
CID 11688533
Penflufen
CID 11674113
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CID 2808002
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1-benzyl-3-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2063316
5-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 827598
N-(2,4-difluorophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811411
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
(1,3-dimethyl-1H-pyrazol-4-yl)(phenyl)methanone
CID 673348
1-benzyl-3-(4-ethylphenyl)-1H-pyrazole-4-carbaldehyde
CID 2446579
CID 155557232
CID 155557232

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide (CID 42352839) is N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FEZOPWUUKCAEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-20(15-24(2)23-16)21(25)22-14-13-19(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15,19H,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42352839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).