N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide

C17H17N3O3S — CID 42686773

IUPACN-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2n[nH]c(C)c2NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-10-15(18-17(21)14-5-4-8-24-14)16(20-19-10)12-7-6-11(22-2)9-13(12)23-3/h4-9H,1-3H3,(H,18,21)(H,19,20)
InChIKeyAXDGDYPPCSAKGL-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.72
Rot. Bonds5

About N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide

N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 42686773) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID42686773
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2n[nH]c(C)c2NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C17H17N3O3S/c1-10-15(18-17(21)14-5-4-8-24-14)16(20-19-10)12-7-6-11(22-2)9-13(12)23-3/h4-9H,1-3H3,(H,18,21)(H,19,20)
InChIKeyAXDGDYPPCSAKGL-UHFFFAOYSA-N
XLogP3.72
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]benzamide
CID 42685754
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 42685772
N-(3,5-dimethyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 43399092
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42685763
4-chloro-N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]benzamide
CID 42874186
N-[(2,4-dimethoxyphenyl)carbamothioyl]thiophene-2-carboxamide
CID 2901650
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methylthiophene-2-carboxamide
CID 51098448
3-chloro-N-[5-cyclopropyl-3-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]benzamide
CID 42686831
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515403
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-3,5-dimethylfuran-2-carboxamide
CID 122146782
1-[3-(2-fluoro-4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(3-methoxyphenyl)urea
CID 42687429

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide (CID 42686773) is N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide is COc1ccc(-c2n[nH]c(C)c2NC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is AXDGDYPPCSAKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-10-15(18-17(21)14-5-4-8-24-14)16(20-19-10)12-7-6-11(22-2)9-13(12)23-3/h4-9H,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide?
N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42686773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).