3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide

C19H19N3O — CID 174504188

IUPAC3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(CC(N)=O)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-13-18(19(22-21-13)15-10-6-3-7-11-15)16(12-17(20)23)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,20,23)(H,21,22)
InChIKeyJFUOTMZXBHSKKV-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.39
Rot. Bonds5

About 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide

3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide (PubChem CID 174504188) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide
PubChem CID174504188
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide
SMILESCc1[nH]nc(-c2ccccc2)c1C(CC(N)=O)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-13-18(19(22-21-13)15-10-6-3-7-11-15)16(12-17(20)23)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,20,23)(H,21,22)
InChIKeyJFUOTMZXBHSKKV-UHFFFAOYSA-N
XLogP3.39
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
4-ethyl-5-methyl-3-phenyl-1H-pyrazole
CID 118348621
4-methyl-3-phenylpentanamide
CID 66616845
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157
4-(3,5-dimethyl-1H-pyrazol-4-yl)-3,4-dihydroxybutanamide
CID 171898617
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110444644
ethane;ethyl 4-methyl-3-phenyl-1H-pyrazole-5-carboxylate
CID 171093697
N-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]acetamide
CID 102030501
ethyl 4-(aminomethyl)-3-phenyl-1H-pyrazole-5-carboxylate
CID 91501788
3-benzhydryl-5-methyl-1H-pyrazole-4-carbohydrazide
CID 54851741
4,4-dimethyl-3-phenylpentanamide
CID 82077159
[(S)-(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]azanium
CID 7219711

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
The IUPAC name of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide (CID 174504188) is 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
The canonical SMILES for 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide is Cc1[nH]nc(-c2ccccc2)c1C(CC(N)=O)c1ccccc1.
What is the InChIKey of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
The InChIKey is JFUOTMZXBHSKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-18(19(22-21-13)15-10-6-3-7-11-15)16(12-17(20)23)14-8-4-2-5-9-14/h2-11,16H,12H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide?
3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide has a molecular weight of 305.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 174504188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).