N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide

C17H17N3O3S — CID 71818589

IUPACN-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)c2)cc1OC
InChIInChI=1S/C17H17N3O3S/c1-20-7-6-13(19-20)17(21)18-16-9-12(10-24-16)11-4-5-14(22-2)15(8-11)23-3/h4-10H,1-3H3,(H,18,21)
InChIKeyKLMDBVHZNQPRPQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide

N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide (PubChem CID 71818589) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide
PubChem CID71818589
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccn(C)n3)c2)cc1OC
InChIInChI=1S/C17H17N3O3S/c1-20-7-6-13(19-20)17(21)18-16-9-12(10-24-16)11-4-5-14(22-2)15(8-11)23-3/h4-10H,1-3H3,(H,18,21)
InChIKeyKLMDBVHZNQPRPQ-UHFFFAOYSA-N
XLogP3.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 71818591
2-(3,4-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167873536
(3,4-dimethoxyphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195639
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-thiazole-4-carboxamide
CID 34429840
N-[5-(3-aminoprop-1-ynyl)-2-methoxyphenyl]-1-methylpyrazole-3-carboxamide
CID 103121306
3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 103116399
2-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 18152667
2-(3,4-dimethoxyphenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-thiazole-4-carboxamide
CID 18204947
2-(3,4-dimethoxyphenyl)-N-(3-methylpyridazin-4-yl)-1,3-thiazole-4-carboxamide
CID 166210953
N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-1-methylpyrazole-3-carboxamide
CID 23733180
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide (CID 71818589) is N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccn(C)n3)c2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide?
The InChIKey is KLMDBVHZNQPRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-7-6-13(19-20)17(21)18-16-9-12(10-24-16)11-4-5-14(22-2)15(8-11)23-3/h4-10H,1-3H3,(H,18,21).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide?
N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71818589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).