1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide

C20H22ClN3O2 — CID 1053398

IUPAC1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c1-3-11-23(12-4-2)20(25)18-14-17(19-6-5-13-26-19)22-24(18)16-9-7-15(21)8-10-16/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyKLHILMPPTUYNOR-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.05
Rot. Bonds7

About 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide

1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide (PubChem CID 1053398) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
PubChem CID1053398
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H22ClN3O2/c1-3-11-23(12-4-2)20(25)18-14-17(19-6-5-13-26-19)22-24(18)16-9-7-15(21)8-10-16/h5-10,13-14H,3-4,11-12H2,1-2H3
InChIKeyKLHILMPPTUYNOR-UHFFFAOYSA-N
XLogP5.05
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(furan-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 2382321
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
CID 78855267
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
CID 55862493
3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 5106535
1-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053559
1-(4-methoxyphenyl)-3-(1-methylpyrrol-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 4255211
1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761882
3-(furan-2-yl)-N-[(2-hydroxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 71891279
3-(1-methylpyrrol-2-yl)-1-(4-nitrophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 4266683
(4-benzylpiperidin-1-yl)-[1-(4-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]methanone
CID 46120011

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide (CID 1053398) is 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide is CCCN(CCC)C(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
The InChIKey is KLHILMPPTUYNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-3-11-23(12-4-2)20(25)18-14-17(19-6-5-13-26-19)22-24(18)16-9-7-15(21)8-10-16/h5-10,13-14H,3-4,11-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide?
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide is sourced from PubChem (CID 1053398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).