1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide

C17H14ClN3O2 — CID 32738812

IUPAC1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN3O2/c1-2-8-19-17(22)14-11-15(16-7-4-9-23-16)21(20-14)13-6-3-5-12(18)10-13/h2-7,9-11H,1,8H2,(H,19,22)
InChIKeyUJSZVGPEBCHITQ-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide

1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide (PubChem CID 32738812) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
PubChem CID32738812
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H14ClN3O2/c1-2-8-19-17(22)14-11-15(16-7-4-9-23-16)21(20-14)13-6-3-5-12(18)10-13/h2-7,9-11H,1,8H2,(H,19,22)
InChIKeyUJSZVGPEBCHITQ-UHFFFAOYSA-N
XLogP3.70
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
1-(3-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 47086851
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(piperidin-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 119462462
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide (CID 32738812) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide is C=CCNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide?
The InChIKey is UJSZVGPEBCHITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-2-8-19-17(22)14-11-15(16-7-4-9-23-16)21(20-14)13-6-3-5-12(18)10-13/h2-7,9-11H,1,8H2,(H,19,22).
What are the key properties of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide is sourced from PubChem (CID 32738812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).