N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide

C17H16ClN3O3 — CID 110928375

IUPACN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO
InChIInChI=1S/C17H16ClN3O3/c1-11-5-8-24-16(11)17(23)19-15-10-14(20-21(15)6-7-22)12-3-2-4-13(18)9-12/h2-5,8-10,22H,6-7H2,1H3,(H,19,23)
InChIKeyQNXSKBVBJGVVJH-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.35
Rot. Bonds5

About N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide

N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide (PubChem CID 110928375) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide
PubChem CID110928375
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO
InChIInChI=1S/C17H16ClN3O3/c1-11-5-8-24-16(11)17(23)19-15-10-14(20-21(15)6-7-22)12-3-2-4-13(18)9-12/h2-5,8-10,22H,6-7H2,1H3,(H,19,23)
InChIKeyQNXSKBVBJGVVJH-UHFFFAOYSA-N
XLogP3.35
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
CID 71933982
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110928423
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 136543276
1-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-prop-2-ynylurea
CID 110929154
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide
CID 110928395
N-[1-(2-hydroxyethyl)-3-(2-methylfuran-3-yl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 126811714
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
CID 110928398
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
CID 110027521
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(4-methylphenyl)acetamide
CID 56921156
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363284
6-(3-chlorophenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyridazin-3-one
CID 51363280

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide (CID 110928375) is N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1cc(-c2cccc(Cl)c2)nn1CCO.
What is the InChIKey of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide?
The InChIKey is QNXSKBVBJGVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11-5-8-24-16(11)17(23)19-15-10-14(20-21(15)6-7-22)12-3-2-4-13(18)9-12/h2-5,8-10,22H,6-7H2,1H3,(H,19,23).
What are the key properties of N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide?
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 110928375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).