N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide

C12H15N3OS — CID 60967175

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cn[nH]c2)c(C)s1
InChIInChI=1S/C12H15N3OS/c1-7-4-11(9(3)17-7)8(2)15-12(16)10-5-13-14-6-10/h4-6,8H,1-3H3,(H,13,14)(H,15,16)
InChIKeyCXDBACDLFAVWLS-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 60967175) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID60967175
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(C(C)NC(=O)c2cn[nH]c2)c(C)s1
InChIInChI=1S/C12H15N3OS/c1-7-4-11(9(3)17-7)8(2)15-12(16)10-5-13-14-6-10/h4-6,8H,1-3H3,(H,13,14)(H,15,16)
InChIKeyCXDBACDLFAVWLS-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-3-carboxamide
CID 62073045
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanone
CID 114989358
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 136521486
3-bromo-5-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide
CID 107951852
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
5-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]-4-methylpyridine-3-carboxylic acid
CID 146143160

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide (CID 60967175) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide is Cc1cc(C(C)NC(=O)c2cn[nH]c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CXDBACDLFAVWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-7-4-11(9(3)17-7)8(2)15-12(16)10-5-13-14-6-10/h4-6,8H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60967175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).