(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine

C12H15N3S — CID 121212446

IUPAC(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
SMILESNCc1c(-c2ccsc2)n[nH]c1C1CCC1
InChIInChI=1S/C12H15N3S/c13-6-10-11(8-2-1-3-8)14-15-12(10)9-4-5-16-7-9/h4-5,7-8H,1-3,6,13H2,(H,14,15)
InChIKeyZZZNCMJVHWXONL-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.86
Rot. Bonds3

About (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine

(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 121212446) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
PubChem CID121212446
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
SMILESNCc1c(-c2ccsc2)n[nH]c1C1CCC1
InChIInChI=1S/C12H15N3S/c13-6-10-11(8-2-1-3-8)14-15-12(10)9-4-5-16-7-9/h4-5,7-8H,1-3,6,13H2,(H,14,15)
InChIKeyZZZNCMJVHWXONL-UHFFFAOYSA-N
XLogP2.86
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile
CID 121212434
4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine
CID 22953836
2-(5-cyclopentyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155737889
4-(bromomethyl)-5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole
CID 121211432
2-(5-cyclohexyl-3-phenyl-1H-pyrazol-4-yl)-N-hydroxyacetamide
CID 155397195
(5-cyclobutyl-3-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 121212148
2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
CID 121213156
5-cyclobutyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CID 121212670
5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole
CID 172892736
3-piperidin-4-yl-5-thiophen-3-yl-2H-indazole-7-carboxamide;hydrochloride
CID 68626860
(5-propan-2-yl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106559
(5-methyl-4-thiophen-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106270

Frequently Asked Questions

What is the IUPAC name of (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine (CID 121212446) is (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine is NCc1c(-c2ccsc2)n[nH]c1C1CCC1.
What is the InChIKey of (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is ZZZNCMJVHWXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c13-6-10-11(8-2-1-3-8)14-15-12(10)9-4-5-16-7-9/h4-5,7-8H,1-3,6,13H2,(H,14,15).
What are the key properties of (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine?
(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 121212446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).