N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

C20H24N4OS — CID 4808884

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C20H24N4OS/c1-14-19(15(2)24(22-14)16-9-6-5-7-10-16)20(25)21-13-17(23(3)4)18-11-8-12-26-18/h5-12,17H,13H2,1-4H3,(H,21,25)
InChIKeyATNZZMDJACAXLK-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 4808884) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID4808884
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1C(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C20H24N4OS/c1-14-19(15(2)24(22-14)16-9-6-5-7-10-16)20(25)21-13-17(23(3)4)18-11-8-12-26-18/h5-12,17H,13H2,1-4H3,(H,21,25)
InChIKeyATNZZMDJACAXLK-UHFFFAOYSA-N
XLogP3.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
Pyrazole scaffold, 10b
CID 25218478
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
2-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[2-(thiophen-2-YL)ethyl]propanamide
CID 20919877
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)thiophene-2-carboxamide
CID 653560
2-[[4-(3,5-Dimethylpyrazol-1-yl)benzoyl]amino]thiophene-3-carboxamide
CID 2118395
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-thiophen-2-ylacetamide
CID 5309163
1-benzyl-N,3,5-trimethyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 9440730

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 4808884) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(C)c1C(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ATNZZMDJACAXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-14-19(15(2)24(22-14)16-9-6-5-7-10-16)20(25)21-13-17(23(3)4)18-11-8-12-26-18/h5-12,17H,13H2,1-4H3,(H,21,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 4808884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).