1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine

C13H21N3 — CID 115822001

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)C2C3CCCCC32)cn1
InChIInChI=1S/C13H21N3/c1-16-8-9(7-15-16)6-12(14)13-10-4-2-3-5-11(10)13/h7-8,10-13H,2-6,14H2,1H3
InChIKeyFNDFHFVRPHGUGJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.73
Rot. Bonds3

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 115822001) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID115822001
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCn1cc(CC(N)C2C3CCCCC32)cn1
InChIInChI=1S/C13H21N3/c1-16-8-9(7-15-16)6-12(14)13-10-4-2-3-5-11(10)13/h7-8,10-13H,2-6,14H2,1H3
InChIKeyFNDFHFVRPHGUGJ-UHFFFAOYSA-N
XLogP1.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
CID 115821833
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463
1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65352255
1,1-dimethoxy-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 79492316
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127990
[7-bicyclo[4.1.0]heptanyl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105288758
1-(3-bicyclo[3.1.0]hexanyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029830

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine (CID 115822001) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine is Cn1cc(CC(N)C2C3CCCCC32)cn1.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is FNDFHFVRPHGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-16-8-9(7-15-16)6-12(14)13-10-4-2-3-5-11(10)13/h7-8,10-13H,2-6,14H2,1H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).