5-(cyclohexylmethyl)-1H-pyrazol-3-amine

C10H17N3 — CID 43115677

IUPAC5-(cyclohexylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C10H17N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,11,12,13)
InChIKeyXNVIUFYBFOAEOH-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.11
Rot. Bonds2

About 5-(cyclohexylmethyl)-1H-pyrazol-3-amine

5-(cyclohexylmethyl)-1H-pyrazol-3-amine (PubChem CID 43115677) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-1H-pyrazol-3-amine
PubChem CID43115677
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-(cyclohexylmethyl)-1H-pyrazol-3-amine
SMILESNc1cc(CC2CCCCC2)[nH]n1
InChIInChI=1S/C10H17N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,11,12,13)
InChIKeyXNVIUFYBFOAEOH-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cyclohexylmethyl)-1H-pyrazol-3-amine (CID 43115677) is 5-(cyclohexylmethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-1H-pyrazol-3-amine is Nc1cc(CC2CCCCC2)[nH]n1.
What is the InChIKey of 5-(cyclohexylmethyl)-1H-pyrazol-3-amine?
The InChIKey is XNVIUFYBFOAEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-10-7-9(12-13-10)6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,11,12,13).
What are the key properties of 5-(cyclohexylmethyl)-1H-pyrazol-3-amine?
5-(cyclohexylmethyl)-1H-pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 43115677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).