3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine

C13H21N3 — CID 107383251

IUPAC3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine
SMILESCc1cc(CC2=CC(N)CCCC2)n(C)n1
InChIInChI=1S/C13H21N3/c1-10-7-13(16(2)15-10)9-11-5-3-4-6-12(14)8-11/h7-8,12H,3-6,9,14H2,1-2H3
InChIKeyVCJPOBDODYCSLN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.10
Rot. Bonds2

About 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine

3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine (PubChem CID 107383251) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine
PubChem CID107383251
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine
SMILESCc1cc(CC2=CC(N)CCCC2)n(C)n1
InChIInChI=1S/C13H21N3/c1-10-7-13(16(2)15-10)9-11-5-3-4-6-12(14)8-11/h7-8,12H,3-6,9,14H2,1-2H3
InChIKeyVCJPOBDODYCSLN-UHFFFAOYSA-N
XLogP2.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,5-dimethylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 81010612
3-[(4-bromophenyl)methyl]cyclohept-2-en-1-amine
CID 107383273
4-[(3-aminocyclohepten-1-yl)methyl]pyridin-2-amine
CID 107383124
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 112569707
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106779904
4-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-amine
CID 104996040
1-(cyclohexen-1-yl)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 116659644
3-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine
CID 107383055
3-[(4-tert-butylphenyl)methyl]cyclohex-2-en-1-amine
CID 65171747
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
ethyl 1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine-2-carboxylate
CID 115539286
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-2-amine
CID 104996236

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine?
The IUPAC name of 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine (CID 107383251) is 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine.
What is the SMILES notation for 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine?
The canonical SMILES for 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine is Cc1cc(CC2=CC(N)CCCC2)n(C)n1.
What is the InChIKey of 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine?
The InChIKey is VCJPOBDODYCSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-7-13(16(2)15-10)9-11-5-3-4-6-12(14)8-11/h7-8,12H,3-6,9,14H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine?
3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrazol-3-yl)methyl]cyclohept-2-en-1-amine is sourced from PubChem (CID 107383251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).