5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine

C12H21N3 — CID 107179171

IUPAC5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine
SMILESCc1c(C2CCCC2(C)C)nn(C)c1N
InChIInChI=1S/C12H21N3/c1-8-10(14-15(4)11(8)13)9-6-5-7-12(9,2)3/h9H,5-7,13H2,1-4H3
InChIKeySQVOMSRHRFRTHR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds1

About 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine

5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine (PubChem CID 107179171) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine
PubChem CID107179171
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine
SMILESCc1c(C2CCCC2(C)C)nn(C)c1N
InChIInChI=1S/C12H21N3/c1-8-10(14-15(4)11(8)13)9-6-5-7-12(9,2)3/h9H,5-7,13H2,1-4H3
InChIKeySQVOMSRHRFRTHR-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine (CID 107179171) is 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine is Cc1c(C2CCCC2(C)C)nn(C)c1N.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine?
The InChIKey is SQVOMSRHRFRTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8-10(14-15(4)11(8)13)9-6-5-7-12(9,2)3/h9H,5-7,13H2,1-4H3.
What are the key properties of 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine?
5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-2,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 107179171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).