N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide

C19H18ClN3O — CID 35531704

IUPACN-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H18ClN3O/c20-17-9-6-15(7-10-17)8-11-19(24)22-18-12-21-23(14-18)13-16-4-2-1-3-5-16/h1-7,9-10,12,14H,8,11,13H2,(H,22,24)
InChIKeyZSMDQXAKKNNXLV-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.16
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide

N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide (PubChem CID 35531704) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
PubChem CID35531704
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H18ClN3O/c20-17-9-6-15(7-10-17)8-11-19(24)22-18-12-21-23(14-18)13-16-4-2-1-3-5-16/h1-7,9-10,12,14H,8,11,13H2,(H,22,24)
InChIKeyZSMDQXAKKNNXLV-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768
N-(1-benzylpyrazol-4-yl)-3-chloropropanamide
CID 54867188
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
N-(1-benzylpyrazol-4-yl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19397538
N-(1-benzylpyrazol-4-yl)-4-(2-phenylethoxy)butanamide
CID 55947082
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-phenylpropanamide
CID 95749422
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
1-benzyl-3-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342344
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 19526387
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569782
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide (CID 35531704) is N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide is O=C(CCc1ccc(Cl)cc1)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide?
The InChIKey is ZSMDQXAKKNNXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-17-9-6-15(7-10-17)8-11-19(24)22-18-12-21-23(14-18)13-16-4-2-1-3-5-16/h1-7,9-10,12,14H,8,11,13H2,(H,22,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide?
N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide has a molecular weight of 339.83 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 35531704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).