N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

C12H15N3OS — CID 71824157

IUPACN-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C12H15N3OS/c1-8(2)6-13-12(16)9-7-14-15-11(9)10-4-3-5-17-10/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyFKIDNJCJPLAPKS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.52
Rot. Bonds4

About N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide

N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 71824157) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID71824157
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)CNC(=O)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C12H15N3OS/c1-8(2)6-13-12(16)9-7-14-15-11(9)10-4-3-5-17-10/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyFKIDNJCJPLAPKS-UHFFFAOYSA-N
XLogP2.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 71824157) is N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is CC(C)CNC(=O)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is FKIDNJCJPLAPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(2)6-13-12(16)9-7-14-15-11(9)10-4-3-5-17-10/h3-5,7-8H,6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).