1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide

C17H22ClN3O2 — CID 110002325

IUPAC1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H22ClN3O2/c1-4-17(3,8-9-22)19-16(23)15-10-12(2)21(20-15)14-7-5-6-13(18)11-14/h5-7,10-11,22H,4,8-9H2,1-3H3,(H,19,23)
InChIKeyITNANUIEUBGEAY-UHFFFAOYSA-N
MW335.84 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide

1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 110002325) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
PubChem CID110002325
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H22ClN3O2/c1-4-17(3,8-9-22)19-16(23)15-10-12(2)21(20-15)14-7-5-6-13(18)11-14/h5-7,10-11,22H,4,8-9H2,1-3H3,(H,19,23)
InChIKeyITNANUIEUBGEAY-UHFFFAOYSA-N
XLogP3.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide (CID 110002325) is 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide is CCC(C)(CCO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is ITNANUIEUBGEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-4-17(3,8-9-22)19-16(23)15-10-12(2)21(20-15)14-7-5-6-13(18)11-14/h5-7,10-11,22H,4,8-9H2,1-3H3,(H,19,23).
What are the key properties of 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1-hydroxy-3-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110002325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).