2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide

C10H14ClN3O — CID 166431940

IUPAC2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CCl)n(CC2CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(12-10(15)5-11)14(13-7)6-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,12,15)
InChIKeyYFRZGGKOUXLURQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.78
Rot. Bonds4

About 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide

2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 166431940) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID166431940
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CCl)n(CC2CC2)n1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(12-10(15)5-11)14(13-7)6-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,12,15)
InChIKeyYFRZGGKOUXLURQ-UHFFFAOYSA-N
XLogP1.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide (CID 166431940) is 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CCl)n(CC2CC2)n1.
What is the InChIKey of 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is YFRZGGKOUXLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-9(12-10(15)5-11)14(13-7)6-8-2-3-8/h4,8H,2-3,5-6H2,1H3,(H,12,15).
What are the key properties of 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide?
2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 166431940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).