1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide

C19H15ClN4O3 — CID 48730832

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)on1
InChIInChI=1S/C19H15ClN4O3/c1-12-9-15(27-23-12)11-21-19(25)16-10-17(18-3-2-8-26-18)24(22-16)14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,25)
InChIKeyXHRKLCXNMOOSDH-UHFFFAOYSA-N
MW382.81 g/mol
LogP4.01
Rot. Bonds5

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 48730832) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID48730832
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)on1
InChIInChI=1S/C19H15ClN4O3/c1-12-9-15(27-23-12)11-21-19(25)16-10-17(18-3-2-8-26-18)24(22-16)14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,25)
InChIKeyXHRKLCXNMOOSDH-UHFFFAOYSA-N
XLogP4.01
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 46528953
1-(4-chlorophenyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55805611
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 17491464
1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 86906330
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 55700375
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460
1-(4-chlorophenyl)-5-(furan-2-yl)-3-methylpyrazole
CID 126681545
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 32688634
1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 31935792
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide (CID 48730832) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide is Cc1cc(CNC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)on1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is XHRKLCXNMOOSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-12-9-15(27-23-12)11-21-19(25)16-10-17(18-3-2-8-26-18)24(22-16)14-6-4-13(20)5-7-14/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 48730832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).