N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

C15H19N3OS — CID 42762130

IUPACN-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-18-13(10-12(17-18)14-8-5-9-20-14)15(19)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,19)
InChIKeyOAKBCQLJXSACII-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.21
Rot. Bonds3

About N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 42762130) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID42762130
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C15H19N3OS/c1-18-13(10-12(17-18)14-8-5-9-20-14)15(19)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,19)
InChIKeyOAKBCQLJXSACII-UHFFFAOYSA-N
XLogP3.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514813
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 4274947
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
N-cyclohexyl-4-thiophen-2-ylbenzamide
CID 4861985
1-methyl-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 131928452

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 42762130) is N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is Cn1nc(-c2cccs2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is OAKBCQLJXSACII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18-13(10-12(17-18)14-8-5-9-20-14)15(19)16-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H,16,19).
What are the key properties of N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42762130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).