(2-cyclohexylpyrazol-3-yl)methanamine

C10H17N3 — CID 105438405

IUPAC(2-cyclohexylpyrazol-3-yl)methanamine
SMILESNCc1ccnn1C1CCCCC1
InChIInChI=1S/C10H17N3/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2
InChIKeyZBBZJZLBUDIJSM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.85
Rot. Bonds2

About (2-cyclohexylpyrazol-3-yl)methanamine

(2-cyclohexylpyrazol-3-yl)methanamine (PubChem CID 105438405) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (2-cyclohexylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexylpyrazol-3-yl)methanamine
PubChem CID105438405
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(2-cyclohexylpyrazol-3-yl)methanamine
SMILESNCc1ccnn1C1CCCCC1
InChIInChI=1S/C10H17N3/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2
InChIKeyZBBZJZLBUDIJSM-UHFFFAOYSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylpyrazol-3-yl)methanamine?
The IUPAC name of (2-cyclohexylpyrazol-3-yl)methanamine (CID 105438405) is (2-cyclohexylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-cyclohexylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-cyclohexylpyrazol-3-yl)methanamine is NCc1ccnn1C1CCCCC1.
What is the InChIKey of (2-cyclohexylpyrazol-3-yl)methanamine?
The InChIKey is ZBBZJZLBUDIJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-8-10-6-7-12-13(10)9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2.
What are the key properties of (2-cyclohexylpyrazol-3-yl)methanamine?
(2-cyclohexylpyrazol-3-yl)methanamine has a molecular weight of 179.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105438405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).