3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine

C11H16ClN3 — CID 105046647

IUPAC3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)C1CC2CC2C1
InChIInChI=1S/C11H16ClN3/c1-15-11(9(12)5-14-15)10(13)8-3-6-2-7(6)4-8/h5-8,10H,2-4,13H2,1H3
InChIKeyARSURMRHBSEMSO-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.12
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine

3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 105046647) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID105046647
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)C1CC2CC2C1
InChIInChI=1S/C11H16ClN3/c1-15-11(9(12)5-14-15)10(13)8-3-6-2-7(6)4-8/h5-8,10H,2-4,13H2,1H3
InChIKeyARSURMRHBSEMSO-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine 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

(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
CID 114654805
2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114660323
2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
CID 83831706
(4-chloro-1-methylpyrazol-5-yl)-(1,4-dithian-2-yl)methanamine
CID 114658031
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-chloro-1-ethylpyrazol-5-yl)methanamine
CID 105040816
(4-chloro-1-methylpyrazol-5-yl)-(1,4-oxathian-2-yl)methanamine
CID 114658085
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097399
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
(4-chloro-1-methylpyrazol-5-yl)-(3-methylcyclopentyl)methanol
CID 114644064
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 105046647) is 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is ARSURMRHBSEMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15-11(9(12)5-14-15)10(13)8-3-6-2-7(6)4-8/h5-8,10H,2-4,13H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 225.72 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105046647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).