1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide

C19H15ClN4O3 — CID 49395004

IUPAC1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
SMILESC#CCNC(=O)CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H15ClN4O3/c1-2-8-21-18(25)12-22-19(26)15-11-16(17-7-4-9-27-17)24(23-15)14-6-3-5-13(20)10-14/h1,3-7,9-11H,8,12H2,(H,21,25)(H,22,26)
InChIKeyJFRUXZFNEATSHZ-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.26
Rot. Bonds6

About 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide

1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 49395004) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
PubChem CID49395004
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
SMILESC#CCNC(=O)CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C19H15ClN4O3/c1-2-8-21-18(25)12-22-19(26)15-11-16(17-7-4-9-27-17)24(23-15)14-6-3-5-13(20)10-14/h1,3-7,9-11H,8,12H2,(H,21,25)(H,22,26)
InChIKeyJFRUXZFNEATSHZ-UHFFFAOYSA-N
XLogP2.26
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
CID 55845539
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-methyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509601
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
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-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide (CID 49395004) is 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide is C#CCNC(=O)CNC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is JFRUXZFNEATSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-2-8-21-18(25)12-22-19(26)15-11-16(17-7-4-9-27-17)24(23-15)14-6-3-5-13(20)10-14/h1,3-7,9-11H,8,12H2,(H,21,25)(H,22,26).
What are the key properties of 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide?
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 49395004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).