N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

C13H14ClN3O — CID 832064

IUPACN-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C13H14ClN3O/c1-3-17-9(2)12(8-15-17)13(18)16-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyRBROYMGARYVJQW-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.12
Rot. Bonds3

About N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide

N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (PubChem CID 832064) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
PubChem CID832064
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
SMILESCCn1ncc(C(=O)Nc2cccc(Cl)c2)c1C
InChIInChI=1S/C13H14ClN3O/c1-3-17-9(2)12(8-15-17)13(18)16-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyRBROYMGARYVJQW-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide (CID 832064) is N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is CCn1ncc(C(=O)Nc2cccc(Cl)c2)c1C.
What is the InChIKey of N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
The InChIKey is RBROYMGARYVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-17-9(2)12(8-15-17)13(18)16-11-6-4-5-10(14)7-11/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide?
N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 832064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).