2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine

C11H15N3 — CID 83241059

IUPAC2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine
SMILESCc1cc(C)cc(N2CCC(N)=N2)c1
InChIInChI=1S/C11H15N3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12)13-14/h5-7H,3-4H2,1-2H3,(H2,12,13)
InChIKeyRVTWOOGZCSIELM-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.79
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine

2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine (PubChem CID 83241059) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine
PubChem CID83241059
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine
SMILESCc1cc(C)cc(N2CCC(N)=N2)c1
InChIInChI=1S/C11H15N3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12)13-14/h5-7H,3-4H2,1-2H3,(H2,12,13)
InChIKeyRVTWOOGZCSIELM-UHFFFAOYSA-N
XLogP1.79
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine?
The IUPAC name of 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine (CID 83241059) is 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine is Cc1cc(C)cc(N2CCC(N)=N2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine?
The InChIKey is RVTWOOGZCSIELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-8-5-9(2)7-10(6-8)14-4-3-11(12)13-14/h5-7H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine?
2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine has a molecular weight of 189.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-3,4-dihydropyrazol-5-amine is sourced from PubChem (CID 83241059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).