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

C19H18ClN3O — CID 143066737

IUPAC3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESCc1ccc(C(CC(N)=O)c2ccc(-c3cn[nH]c3)cc2)cc1Cl
InChIInChI=1S/C19H18ClN3O/c1-12-2-3-15(8-18(12)20)17(9-19(21)24)14-6-4-13(5-7-14)16-10-22-23-11-16/h2-8,10-11,17H,9H2,1H3,(H2,21,24)(H,22,23)
InChIKeyVWACRDSJLOSBPG-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.05
Rot. Bonds5

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

3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide (PubChem CID 143066737) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
PubChem CID143066737
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
SMILESCc1ccc(C(CC(N)=O)c2ccc(-c3cn[nH]c3)cc2)cc1Cl
InChIInChI=1S/C19H18ClN3O/c1-12-2-3-15(8-18(12)20)17(9-19(21)24)14-6-4-13(5-7-14)16-10-22-23-11-16/h2-8,10-11,17H,9H2,1H3,(H2,21,24)(H,22,23)
InChIKeyVWACRDSJLOSBPG-UHFFFAOYSA-N
XLogP4.05
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 11772358
2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 11197714
(3S)-3-(4-chlorophenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 69129226
3-(2,4-dichlorophenyl)-N-methyl-3-[4-(1H-pyrazol-4-yl)phenyl]propan-1-amine
CID 59446651
2-[[2-(4-chlorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]amino]ethanol
CID 11405111
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985
3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 83284948
4-[2-(methylamino)-1-[4-(1H-pyrazol-4-yl)phenyl]ethyl]phenol
CID 174505000
(2R)-2-amino-2-(3-chloro-4-methylphenyl)acetic acid
CID 130742447
methyl 2-chloro-5-(1H-pyrazol-4-yl)benzoate
CID 129283677
4-[4-(1-phenylethyl)phenyl]-1H-pyrazole
CID 70840207
2-(3-chloro-4-methylphenyl)-2-sulfanylacetamide
CID 173431236

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide (CID 143066737) is 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide is Cc1ccc(C(CC(N)=O)c2ccc(-c3cn[nH]c3)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
The InChIKey is VWACRDSJLOSBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-12-2-3-15(8-18(12)20)17(9-19(21)24)14-6-4-13(5-7-14)16-10-22-23-11-16/h2-8,10-11,17H,9H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide?
3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide has a molecular weight of 339.83 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 143066737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).