3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide

C13H14ClN3O — CID 19509414

IUPAC3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C13H14ClN3O/c1-2-7-15-13(18)12-8-11(16-17-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyAFCNHYAFYFZNRT-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.87
Rot. Bonds4

About 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide (PubChem CID 19509414) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide
PubChem CID19509414
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C13H14ClN3O/c1-2-7-15-13(18)12-8-11(16-17-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyAFCNHYAFYFZNRT-UHFFFAOYSA-N
XLogP2.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide (CID 19509414) is 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide is CCCNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide?
The InChIKey is AFCNHYAFYFZNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-7-15-13(18)12-8-11(16-17-12)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-propyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).