N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide

C19H21N3O4S — CID 5151080

IUPACN-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide
SMILESCOc1ccc(CCn2cc(NC(=O)c3cscc3OC)cn2)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-24-16-5-4-13(8-17(16)25-2)6-7-22-10-14(9-20-22)21-19(23)15-11-27-12-18(15)26-3/h4-5,8-12H,6-7H2,1-3H3,(H,21,23)
InChIKeyPSYDTCJXNKGINV-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.47
Rot. Bonds8

About N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide (PubChem CID 5151080) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide
PubChem CID5151080
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide
SMILESCOc1ccc(CCn2cc(NC(=O)c3cscc3OC)cn2)cc1OC
InChIInChI=1S/C19H21N3O4S/c1-24-16-5-4-13(8-17(16)25-2)6-7-22-10-14(9-20-22)21-19(23)15-11-27-12-18(15)26-3/h4-5,8-12H,6-7H2,1-3H3,(H,21,23)
InChIKeyPSYDTCJXNKGINV-UHFFFAOYSA-N
XLogP3.47
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 5002886
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 3861884
dimethyl 3-[4-[(4-methoxythiophene-3-carbonyl)amino]pyrazol-1-yl]pentanedioate
CID 3848159
N-(1-benzylpyrazol-4-yl)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 55981745
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
2-(4-methoxyphenyl)-N-[1-(2-phenylethyl)pyrazol-4-yl]acetamide
CID 95744739
7-methoxy-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-1-benzofuran-2-carboxamide
CID 4994962
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
2-methoxy-4-methyl-N-[1-(2-methylpropyl)pyrazol-4-yl]benzamide
CID 136533991
N-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrazol-4-amine
CID 19625859
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide (CID 5151080) is N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide is COc1ccc(CCn2cc(NC(=O)c3cscc3OC)cn2)cc1OC.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide?
The InChIKey is PSYDTCJXNKGINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-24-16-5-4-13(8-17(16)25-2)6-7-22-10-14(9-20-22)21-19(23)15-11-27-12-18(15)26-3/h4-5,8-12H,6-7H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide?
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide has a molecular weight of 387.46 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-4-methoxythiophene-3-carboxamide is sourced from PubChem (CID 5151080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).