5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide

C19H18N6OS — CID 108729406

IUPAC5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2[nH]cnc2-c2cccs2)cnn1-c1ccccn1
InChIInChI=1S/C19H18N6OS/c1-13-14(11-24-25(13)17-6-2-3-8-20-17)19(26)21-9-7-15-18(23-12-22-15)16-5-4-10-27-16/h2-6,8,10-12H,7,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyIVOJIIAFYIUIMO-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.00
Rot. Bonds6

About 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide

5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 108729406) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide
PubChem CID108729406
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCc2[nH]cnc2-c2cccs2)cnn1-c1ccccn1
InChIInChI=1S/C19H18N6OS/c1-13-14(11-24-25(13)17-6-2-3-8-20-17)19(26)21-9-7-15-18(23-12-22-15)16-5-4-10-27-16/h2-6,8,10-12H,7,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyIVOJIIAFYIUIMO-UHFFFAOYSA-N
XLogP3.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 108729336
N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 108729429
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
2,6-dimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753068
4-propan-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108729363
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 137150738
1,1-diethyl-3-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]urea
CID 108729375
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
CID 108811525
[4-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethylcarbamoyl]phenyl] acetate
CID 108729293
2-bromo-3,4,5-trimethoxy-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]benzamide
CID 108753093

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide (CID 108729406) is 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide is Cc1c(C(=O)NCCc2[nH]cnc2-c2cccs2)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is IVOJIIAFYIUIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-13-14(11-24-25(13)17-6-2-3-8-20-17)19(26)21-9-7-15-18(23-12-22-15)16-5-4-10-27-16/h2-6,8,10-12H,7,9H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide?
5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyridin-2-yl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 108729406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).