1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide

C16H18ClN3O2 — CID 84596963

IUPAC1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(C)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H18ClN3O2/c1-3-8-19(9-10-21)16(22)14-11-12(2)20(18-14)15-7-5-4-6-13(15)17/h3-7,11,21H,1,8-10H2,2H3
InChIKeyCUSMCORGUFPDJV-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.45
Rot. Bonds6

About 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide

1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 84596963) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID84596963
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCN(CCO)C(=O)c1cc(C)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H18ClN3O2/c1-3-8-19(9-10-21)16(22)14-11-12(2)20(18-14)15-7-5-4-6-13(15)17/h3-7,11,21H,1,8-10H2,2H3
InChIKeyCUSMCORGUFPDJV-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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[1-(2-Chlorophenyl)pyrazol-3-yl]-(2,4-dimethylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide (CID 84596963) is 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide is C=CCN(CCO)C(=O)c1cc(C)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is CUSMCORGUFPDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-3-8-19(9-10-21)16(22)14-11-12(2)20(18-14)15-7-5-4-6-13(15)17/h3-7,11,21H,1,8-10H2,2H3.
What are the key properties of 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-hydroxyethyl)-5-methyl-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 84596963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).