1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide

C20H22ClN3OS — CID 42761882

IUPAC1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3OS/c1-3-10-23(11-4-2)20(25)18-14-17(19-9-6-12-26-19)22-24(18)16-8-5-7-15(21)13-16/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyKAUCGUHWBMAIKP-UHFFFAOYSA-N
MW387.94 g/mol
LogP5.52
Rot. Bonds7

About 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide

1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42761882) has the molecular formula C20H22ClN3OS and a molecular weight of 387.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42761882
Molecular FormulaC20H22ClN3OS
Molecular Weight387.94 g/mol
Exact Mass387.12
IUPAC Name1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C20H22ClN3OS/c1-3-10-23(11-4-2)20(25)18-14-17(19-9-6-12-26-19)22-24(18)16-8-5-7-15(21)13-16/h5-9,12-14H,3-4,10-11H2,1-2H3
InChIKeyKAUCGUHWBMAIKP-UHFFFAOYSA-N
XLogP5.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.94
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-1-(3-chlorophenyl)-N,N-dipropylpyrazole-5-carboxamide
CID 5106535
1-[4-[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperazin-1-yl]ethanone
CID 4285307
1-(2-chlorophenyl)-N,N-diethyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3925878
1-(3-chlorophenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7218444
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-piperidin-1-ylmethanone
CID 42662964
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 5013344
1-(3,4-dichlorophenyl)-N-hexyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4537760
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42761828
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
[1-(3-chlorophenyl)-3-thiophen-2-ylpyrazol-5-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42761883
1-(3-nitrophenyl)-N-propyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762114

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42761882) is 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide is CCCN(CCC)C(=O)c1cc(-c2cccs2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is KAUCGUHWBMAIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3OS/c1-3-10-23(11-4-2)20(25)18-14-17(19-9-6-12-26-19)22-24(18)16-8-5-7-15(21)13-16/h5-9,12-14H,3-4,10-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide?
1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 387.94 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N-dipropyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42761882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).