3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide

C14H16ClN3O2 — CID 19570339

IUPAC3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide
SMILESCOc1cccc(NC(=O)C(C)Cn2cc(Cl)cn2)c1
InChIInChI=1S/C14H16ClN3O2/c1-10(8-18-9-11(15)7-16-18)14(19)17-12-4-3-5-13(6-12)20-2/h3-7,9-10H,8H2,1-2H3,(H,17,19)
InChIKeyKPGWLKRJUZGHDW-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.82
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide

3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide (PubChem CID 19570339) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide
PubChem CID19570339
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide
SMILESCOc1cccc(NC(=O)C(C)Cn2cc(Cl)cn2)c1
InChIInChI=1S/C14H16ClN3O2/c1-10(8-18-9-11(15)7-16-18)14(19)17-12-4-3-5-13(6-12)20-2/h3-7,9-10H,8H2,1-2H3,(H,17,19)
InChIKeyKPGWLKRJUZGHDW-UHFFFAOYSA-N
XLogP2.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide (CID 19570339) is 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide is COc1cccc(NC(=O)C(C)Cn2cc(Cl)cn2)c1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
The InChIKey is KPGWLKRJUZGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-10(8-18-9-11(15)7-16-18)14(19)17-12-4-3-5-13(6-12)20-2/h3-7,9-10H,8H2,1-2H3,(H,17,19).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide?
3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide has a molecular weight of 293.75 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(3-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 19570339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).