3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

C18H17N3O — CID 70896884

IUPAC3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H17N3O/c22-18(11-6-14-4-2-1-3-5-14)21-17-9-7-15(8-10-17)16-12-19-20-13-16/h1-5,7-10,12-13H,6,11H2,(H,19,20)(H,21,22)
InChIKeyYGXZRRWZPYIWED-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.65
Rot. Bonds5

About 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide

3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 70896884) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID70896884
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H17N3O/c22-18(11-6-14-4-2-1-3-5-14)21-17-9-7-15(8-10-17)16-12-19-20-13-16/h1-5,7-10,12-13H,6,11H2,(H,19,20)(H,21,22)
InChIKeyYGXZRRWZPYIWED-UHFFFAOYSA-N
XLogP3.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-2-(4-chlorophenyl)-acetamide
CID 46900281
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
N-(1H-indazol-5-yl)-2-phenylacetamide
CID 4412719
N-(1H-indazol-5-yl)cyclohexanecarboxamide
CID 3523119
2-cyclohexyl-N-(1H-indazol-5-yl)acetamide
CID 23570811
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
(R)-N-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-3-(3-fluorophenyl)propanamide
CID 46900277
N-isopropyl-3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoylamino]benzamide
CID 68520214
Rock-IN-D3
CID 68520643
1-[(3-methylphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561683
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-[(3-fluorophenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562476

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 70896884) is 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is O=C(CCc1ccccc1)Nc1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is YGXZRRWZPYIWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c22-18(11-6-14-4-2-1-3-5-14)21-17-9-7-15(8-10-17)16-12-19-20-13-16/h1-5,7-10,12-13H,6,11H2,(H,19,20)(H,21,22).
What are the key properties of 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 70896884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).