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

C12H13N3OS — CID 110335992

IUPACN-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)cc1-c1cccs1
InChIInChI=1S/C12H13N3OS/c1-15-10(11-3-2-6-17-11)7-9(14-15)12(16)13-8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,13,16)
InChIKeyKIBAYAMINPWGAJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.04
Rot. Bonds3

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

N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 110335992) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID110335992
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)cc1-c1cccs1
InChIInChI=1S/C12H13N3OS/c1-15-10(11-3-2-6-17-11)7-9(14-15)12(16)13-8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,13,16)
InChIKeyKIBAYAMINPWGAJ-UHFFFAOYSA-N
XLogP2.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994
N-(2-fluorophenyl)-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110336071
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 117215256
[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 133131679
2,3-dihydroindol-1-yl-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 110336070
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 70741054
[3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 56882248

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide (CID 110335992) is N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CC2)cc1-c1cccs1.
What is the InChIKey of N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is KIBAYAMINPWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-10(11-3-2-6-17-11)7-9(14-15)12(16)13-8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,13,16).
What are the key properties of N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide?
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110335992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).