N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C17H20ClN3O — CID 136534933

IUPACN-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H20ClN3O/c1-10-16(11(2)21-20-10)9-17(22)19-15-7-13(8-15)12-4-3-5-14(18)6-12/h3-6,13,15H,7-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZFZZUOZGJXVUMC-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.28
Rot. Bonds4

About N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 136534933) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID136534933
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1CC(=O)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C17H20ClN3O/c1-10-16(11(2)21-20-10)9-17(22)19-15-7-13(8-15)12-4-3-5-14(18)6-12/h3-6,13,15H,7-9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyZFZZUOZGJXVUMC-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 136534933) is N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1CC(=O)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is ZFZZUOZGJXVUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-10-16(11(2)21-20-10)9-17(22)19-15-7-13(8-15)12-4-3-5-14(18)6-12/h3-6,13,15H,7-9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 317.82 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)cyclobutyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 136534933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).