2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine

C12H21N3S — CID 64626801

IUPAC2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1cnn(C)c1
InChIInChI=1S/C12H21N3S/c1-3-7-13-11-5-4-6-12(11)16-10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3
InChIKeyFLBIPBUILYPMAM-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.43
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine

2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine (PubChem CID 64626801) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
PubChem CID64626801
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1cnn(C)c1
InChIInChI=1S/C12H21N3S/c1-3-7-13-11-5-4-6-12(11)16-10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3
InChIKeyFLBIPBUILYPMAM-UHFFFAOYSA-N
XLogP2.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-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

2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64621770
2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64627959
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylcyclopentan-1-amine
CID 64648465
2-[(1-methylpyrazol-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62127989
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
CID 64622142
2-(1-methylpyrazol-4-yl)sulfanylcycloheptan-1-amine
CID 64627958
2-(4-methoxyphenyl)sulfanyl-N-propylcycloheptan-1-amine
CID 64621896
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
CID 106927686

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine (CID 64626801) is 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine is CCCNC1CCCC1Sc1cnn(C)c1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine?
The InChIKey is FLBIPBUILYPMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-7-13-11-5-4-6-12(11)16-10-8-14-15(2)9-10/h8-9,11-13H,3-7H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine?
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine has a molecular weight of 239.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64626801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).