N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C20H24N4O2S — CID 167959032

IUPACN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(-c3ccc(C)s3)[nH]n2)N(C)C)cc1
InChIInChI=1S/C20H24N4O2S/c1-13-5-10-19(27-13)16-11-17(23-22-16)20(25)21-12-18(24(2)3)14-6-8-15(26-4)9-7-14/h5-11,18H,12H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyAAJJSQYZEOQZPY-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.49
Rot. Bonds7

About N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 167959032) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID167959032
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)c2cc(-c3ccc(C)s3)[nH]n2)N(C)C)cc1
InChIInChI=1S/C20H24N4O2S/c1-13-5-10-19(27-13)16-11-17(23-22-16)20(25)21-12-18(24(2)3)14-6-8-15(26-4)9-7-14/h5-11,18H,12H2,1-4H3,(H,21,25)(H,22,23)
InChIKeyAAJJSQYZEOQZPY-UHFFFAOYSA-N
XLogP3.49
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167828873
N-[1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 1185518
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5392665
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 72874195
5-(5-methylthiophen-2-yl)-N-prop-2-enyl-1H-pyrazole-3-carboxamide
CID 39297316
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 167983894
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 7987402
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
4,5-dichloro-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 86930184
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 43843573
N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 30474759

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 167959032) is N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is COc1ccc(C(CNC(=O)c2cc(-c3ccc(C)s3)[nH]n2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is AAJJSQYZEOQZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-5-10-19(27-13)16-11-17(23-22-16)20(25)21-12-18(24(2)3)14-6-8-15(26-4)9-7-14/h5-11,18H,12H2,1-4H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 384.51 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167959032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).