2-(cyclohexylmethyl)pyrazol-3-amine

C10H17N3 — CID 4962298

IUPAC2-(cyclohexylmethyl)pyrazol-3-amine
SMILESNc1ccnn1CC1CCCCC1
InChIInChI=1S/C10H17N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2
InChIKeyHQBNRQCHZMQTON-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.05
Rot. Bonds2

About 2-(cyclohexylmethyl)pyrazol-3-amine

2-(cyclohexylmethyl)pyrazol-3-amine (PubChem CID 4962298) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)pyrazol-3-amine
PubChem CID4962298
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(cyclohexylmethyl)pyrazol-3-amine
SMILESNc1ccnn1CC1CCCCC1
InChIInChI=1S/C10H17N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2
InChIKeyHQBNRQCHZMQTON-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)pyrazol-3-amine?
The IUPAC name of 2-(cyclohexylmethyl)pyrazol-3-amine (CID 4962298) is 2-(cyclohexylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-(cyclohexylmethyl)pyrazol-3-amine is Nc1ccnn1CC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)pyrazol-3-amine?
The InChIKey is HQBNRQCHZMQTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-10-6-7-12-13(10)8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,11H2.
What are the key properties of 2-(cyclohexylmethyl)pyrazol-3-amine?
2-(cyclohexylmethyl)pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)pyrazol-3-amine is sourced from PubChem (CID 4962298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).