N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide

C18H16ClN3O — CID 2267427

IUPACN-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-13(23)20-18-11-17(15-5-3-2-4-6-15)21-22(18)12-14-7-9-16(19)10-8-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeySZFDNRMZJMHRQQ-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.21
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide

N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide (PubChem CID 2267427) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide
PubChem CID2267427
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-13(23)20-18-11-17(15-5-3-2-4-6-15)21-22(18)12-14-7-9-16(19)10-8-14/h2-11H,12H2,1H3,(H,20,23)
InChIKeySZFDNRMZJMHRQQ-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide (CID 2267427) is N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide is CC(=O)Nc1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is SZFDNRMZJMHRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-13(23)20-18-11-17(15-5-3-2-4-6-15)21-22(18)12-14-7-9-16(19)10-8-14/h2-11H,12H2,1H3,(H,20,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide?
N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 325.80 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 2267427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).