1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide

C18H19ClN4OS — CID 49372359

IUPAC1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccn(-c2ccccc2Cl)n1)c1cccs1
InChIInChI=1S/C18H19ClN4OS/c1-22(2)16(17-8-5-11-25-17)12-20-18(24)14-9-10-23(21-14)15-7-4-3-6-13(15)19/h3-11,16H,12H2,1-2H3,(H,20,24)
InChIKeyVSQJUYQMUPXMBL-UHFFFAOYSA-N
MW374.90 g/mol
LogP3.62
Rot. Bonds6

About 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide

1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide (PubChem CID 49372359) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
PubChem CID49372359
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide
SMILESCN(C)C(CNC(=O)c1ccn(-c2ccccc2Cl)n1)c1cccs1
InChIInChI=1S/C18H19ClN4OS/c1-22(2)16(17-8-5-11-25-17)12-20-18(24)14-9-10-23(21-14)15-7-4-3-6-13(15)19/h3-11,16H,12H2,1-2H3,(H,20,24)
InChIKeyVSQJUYQMUPXMBL-UHFFFAOYSA-N
XLogP3.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.90
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoline-2-carboxamide
CID 2474991
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2709525
1-(2-chlorophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-3-carboxamide
CID 49376762
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30531854
1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 55650784
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
2-(2-chlorophenoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 18161769
2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
2-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 30834281
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide (CID 49372359) is 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide is CN(C)C(CNC(=O)c1ccn(-c2ccccc2Cl)n1)c1cccs1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide?
The InChIKey is VSQJUYQMUPXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-22(2)16(17-8-5-11-25-17)12-20-18(24)14-9-10-23(21-14)15-7-4-3-6-13(15)19/h3-11,16H,12H2,1-2H3,(H,20,24).
What are the key properties of 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide has a molecular weight of 374.90 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 49372359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).