5-cycloheptyl-1H-pyrazol-3-amine

C10H17N3 — CID 54594329

IUPAC5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1cc(C2CCCCCC2)[nH]n1
InChIInChI=1S/C10H17N3/c11-10-7-9(12-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,11,12,13)
InChIKeyYWEFAASSEQSXKX-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.43
Rot. Bonds1

About 5-cycloheptyl-1H-pyrazol-3-amine

5-cycloheptyl-1H-pyrazol-3-amine (PubChem CID 54594329) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-cycloheptyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cycloheptyl-1H-pyrazol-3-amine
PubChem CID54594329
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-cycloheptyl-1H-pyrazol-3-amine
SMILESNc1cc(C2CCCCCC2)[nH]n1
InChIInChI=1S/C10H17N3/c11-10-7-9(12-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,11,12,13)
InChIKeyYWEFAASSEQSXKX-UHFFFAOYSA-N
XLogP2.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-1H-pyrazol-3-amine?
The IUPAC name of 5-cycloheptyl-1H-pyrazol-3-amine (CID 54594329) is 5-cycloheptyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cycloheptyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-cycloheptyl-1H-pyrazol-3-amine is Nc1cc(C2CCCCCC2)[nH]n1.
What is the InChIKey of 5-cycloheptyl-1H-pyrazol-3-amine?
The InChIKey is YWEFAASSEQSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-10-7-9(12-13-10)8-5-3-1-2-4-6-8/h7-8H,1-6H2,(H3,11,12,13).
What are the key properties of 5-cycloheptyl-1H-pyrazol-3-amine?
5-cycloheptyl-1H-pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-1H-pyrazol-3-amine is sourced from PubChem (CID 54594329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).