2-cycloheptyl-3,4-dihydropyrazol-5-amine

C10H19N3 — CID 83240724

IUPAC2-cycloheptyl-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(C2CCCCCC2)CC1
InChIInChI=1S/C10H19N3/c11-10-7-8-13(12-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,11,12)
InChIKeySAZLFSCEKJLKNS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.69
Rot. Bonds1

About 2-cycloheptyl-3,4-dihydropyrazol-5-amine

2-cycloheptyl-3,4-dihydropyrazol-5-amine (PubChem CID 83240724) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-cycloheptyl-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-cycloheptyl-3,4-dihydropyrazol-5-amine
PubChem CID83240724
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-cycloheptyl-3,4-dihydropyrazol-5-amine
SMILESNC1=NN(C2CCCCCC2)CC1
InChIInChI=1S/C10H19N3/c11-10-7-8-13(12-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,11,12)
InChIKeySAZLFSCEKJLKNS-UHFFFAOYSA-N
XLogP1.69
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-cycloheptyl-3,4-dihydropyrazol-5-amine (CID 83240724) is 2-cycloheptyl-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-cycloheptyl-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-cycloheptyl-3,4-dihydropyrazol-5-amine is NC1=NN(C2CCCCCC2)CC1.
What is the InChIKey of 2-cycloheptyl-3,4-dihydropyrazol-5-amine?
The InChIKey is SAZLFSCEKJLKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c11-10-7-8-13(12-10)9-5-3-1-2-4-6-9/h9H,1-8H2,(H2,11,12).
What are the key properties of 2-cycloheptyl-3,4-dihydropyrazol-5-amine?
2-cycloheptyl-3,4-dihydropyrazol-5-amine has a molecular weight of 181.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 83240724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).