2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine

C12H18ClN3 — CID 114660323

IUPAC2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)C1CC2CCC1C2
InChIInChI=1S/C12H18ClN3/c1-16-12(10(13)6-15-16)11(14)9-5-7-2-3-8(9)4-7/h6-9,11H,2-5,14H2,1H3
InChIKeyPVNKGJKGHPLSIL-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.51
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine

2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 114660323) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID114660323
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1C(N)C1CC2CCC1C2
InChIInChI=1S/C12H18ClN3/c1-16-12(10(13)6-15-16)11(14)9-5-7-2-3-8(9)4-7/h6-9,11H,2-5,14H2,1H3
InChIKeyPVNKGJKGHPLSIL-UHFFFAOYSA-N
XLogP2.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bicyclo[2.2.1]heptanyl-(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

1-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114660339
3-bicyclo[3.1.0]hexanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105046647
(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
CID 114654805
2-bicyclo[2.2.1]heptanyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114660326
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 98271656
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloro-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 105041938
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097399
(4-chloro-1-methylpyrazol-5-yl)-(1,4-dithian-2-yl)methanamine
CID 114658031
2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chloro-2-fluorophenyl)methanamine
CID 105398582
(4-chloro-1-methylpyrazol-5-yl)-(1,4-oxathian-2-yl)methanamine
CID 114658085
2-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylethanamine
CID 83831706
2-bicyclo[2.2.1]heptanyl-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523105

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine (CID 114660323) is 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1C(N)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is PVNKGJKGHPLSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16-12(10(13)6-15-16)11(14)9-5-7-2-3-8(9)4-7/h6-9,11H,2-5,14H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine?
2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 239.75 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 114660323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).