[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine

C9H15N3 — CID 83094405

IUPAC[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine
SMILESCc1nn(C)cc1C1CC1CN
InChIInChI=1S/C9H15N3/c1-6-9(5-12(2)11-6)8-3-7(8)4-10/h5,7-8H,3-4,10H2,1-2H3
InChIKeyWASXKFSDSJYRHU-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.79
Rot. Bonds2

About [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine

[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine (PubChem CID 83094405) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine
PubChem CID83094405
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine
SMILESCc1nn(C)cc1C1CC1CN
InChIInChI=1S/C9H15N3/c1-6-9(5-12(2)11-6)8-3-7(8)4-10/h5,7-8H,3-4,10H2,1-2H3
InChIKeyWASXKFSDSJYRHU-UHFFFAOYSA-N
XLogP0.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine (CID 83094405) is [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine is Cc1nn(C)cc1C1CC1CN.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine?
The InChIKey is WASXKFSDSJYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-9(5-12(2)11-6)8-3-7(8)4-10/h5,7-8H,3-4,10H2,1-2H3.
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine?
[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine is sourced from PubChem (CID 83094405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).