N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide

C16H16N4O2S — CID 110928260

IUPACN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cccs3)nn2CCO)cn1
InChIInChI=1S/C16H16N4O2S/c1-11-4-5-12(10-17-11)16(22)18-15-9-13(14-3-2-8-23-14)19-20(15)6-7-21/h2-5,8-10,21H,6-7H2,1H3,(H,18,22)
InChIKeyKUVXPOFCDJYHED-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.56
Rot. Bonds5

About N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide

N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide (PubChem CID 110928260) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
PubChem CID110928260
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(-c3cccs3)nn2CCO)cn1
InChIInChI=1S/C16H16N4O2S/c1-11-4-5-12(10-17-11)16(22)18-15-9-13(14-3-2-8-23-14)19-20(15)6-7-21/h2-5,8-10,21H,6-7H2,1H3,(H,18,22)
InChIKeyKUVXPOFCDJYHED-UHFFFAOYSA-N
XLogP2.56
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]benzamide
CID 110928302
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 110932034
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]butanamide
CID 110928296
3-fluoro-N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]pyridine-4-carboxamide
CID 111456737
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(2-hydroxyphenyl)acetamide
CID 110929023
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 167942610
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]quinoxaline-6-carboxamide
CID 121169831
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632
4-chloro-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]benzamide
CID 42109166

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide (CID 110928260) is N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cc(-c3cccs3)nn2CCO)cn1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is KUVXPOFCDJYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-4-5-12(10-17-11)16(22)18-15-9-13(14-3-2-8-23-14)19-20(15)6-7-21/h2-5,8-10,21H,6-7H2,1H3,(H,18,22).
What are the key properties of N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide?
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 110928260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).