[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine

C13H21N3 — CID 103014754

IUPAC[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESCn1cc(CCC2(CN)CC3CC3C2)cn1
InChIInChI=1S/C13H21N3/c1-16-8-10(7-15-16)2-3-13(9-14)5-11-4-12(11)6-13/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyJRIQBHDRLQLNAX-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.73
Rot. Bonds4

About [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine

[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (PubChem CID 103014754) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.

Molecular Properties

Compound Name[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
PubChem CID103014754
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
SMILESCn1cc(CCC2(CN)CC3CC3C2)cn1
InChIInChI=1S/C13H21N3/c1-16-8-10(7-15-16)2-3-13(9-14)5-11-4-12(11)6-13/h7-8,11-12H,2-6,9,14H2,1H3
InChIKeyJRIQBHDRLQLNAX-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methanamine
CID 103014414
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
CID 103007094
4-[2-[2-(bromomethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole
CID 103018348
[1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025847

Frequently Asked Questions

What is the IUPAC name of [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The IUPAC name of [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine (CID 103014754) is [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine.
What is the SMILES notation for [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The canonical SMILES for [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is Cn1cc(CCC2(CN)CC3CC3C2)cn1.
What is the InChIKey of [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
The InChIKey is JRIQBHDRLQLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-8-10(7-15-16)2-3-13(9-14)5-11-4-12(11)6-13/h7-8,11-12H,2-6,9,14H2,1H3.
What are the key properties of [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine?
[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine is sourced from PubChem (CID 103014754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).