2-butyl-N-(thiolan-3-yl)pyrazol-3-amine

C11H19N3S — CID 115926085

IUPAC2-butyl-N-(thiolan-3-yl)pyrazol-3-amine
SMILESCCCCn1nccc1NC1CCSC1
InChIInChI=1S/C11H19N3S/c1-2-3-7-14-11(4-6-12-14)13-10-5-8-15-9-10/h4,6,10,13H,2-3,5,7-9H2,1H3
InChIKeyBMICQPDOFTXCES-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds5

About 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine

2-butyl-N-(thiolan-3-yl)pyrazol-3-amine (PubChem CID 115926085) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name2-butyl-N-(thiolan-3-yl)pyrazol-3-amine
PubChem CID115926085
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-butyl-N-(thiolan-3-yl)pyrazol-3-amine
SMILESCCCCn1nccc1NC1CCSC1
InChIInChI=1S/C11H19N3S/c1-2-3-7-14-11(4-6-12-14)13-10-5-8-15-9-10/h4,6,10,13H,2-3,5,7-9H2,1H3
InChIKeyBMICQPDOFTXCES-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-(thiolan-3-yl)triazol-4-amine
CID 130486465
N-methyl-1-(2-propylpyrazol-3-yl)-1-(thiolan-3-yl)methanamine
CID 105148124
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
2-[3-methyl-5-(thiolan-3-ylamino)pyrazol-1-yl]ethanol
CID 115925984
1-methyl-N-(thiolan-3-yl)imidazol-2-amine
CID 103063471
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
CID 50987917
2-butyl-N-(2-methylpentyl)pyrazol-3-amine
CID 115909262
N-cyclopentyl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115702987
N-(2-butylpyrazol-3-yl)piperidine-3-carboxamide
CID 119286994
1-butyl-5-ethylpyrazole
CID 23006159
5,6-dimethyl-N-(thiolan-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 162630201

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine?
The IUPAC name of 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine (CID 115926085) is 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine?
The canonical SMILES for 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine is CCCCn1nccc1NC1CCSC1.
What is the InChIKey of 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine?
The InChIKey is BMICQPDOFTXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-3-7-14-11(4-6-12-14)13-10-5-8-15-9-10/h4,6,10,13H,2-3,5,7-9H2,1H3.
What are the key properties of 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine?
2-butyl-N-(thiolan-3-yl)pyrazol-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(thiolan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 115926085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).