N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide

C16H17Cl2N3O — CID 112761641

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C1CC1)n1nccc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-10(12-3-4-12)21-15(6-7-19-21)20-16(22)9-11-2-5-13(17)14(18)8-11/h2,5-8,10,12H,3-4,9H2,1H3,(H,20,22)
InChIKeyFFJVARKJWZYULA-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.34
Rot. Bonds5

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide (PubChem CID 112761641) has the molecular formula C16H17Cl2N3O and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
PubChem CID112761641
Molecular FormulaC16H17Cl2N3O
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
SMILESCC(C1CC1)n1nccc1NC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H17Cl2N3O/c1-10(12-3-4-12)21-15(6-7-19-21)20-16(22)9-11-2-5-13(17)14(18)8-11/h2,5-8,10,12H,3-4,9H2,1H3,(H,20,22)
InChIKeyFFJVARKJWZYULA-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide (CID 112761641) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide is CC(C1CC1)n1nccc1NC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide?
The InChIKey is FFJVARKJWZYULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O/c1-10(12-3-4-12)21-15(6-7-19-21)20-16(22)9-11-2-5-13(17)14(18)8-11/h2,5-8,10,12H,3-4,9H2,1H3,(H,20,22).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide has a molecular weight of 338.24 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 112761641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).