3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine

C11H19N3 — CID 165499274

IUPAC3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(C(C)(C)C2CC2)nn(C)c1N
InChIInChI=1S/C11H19N3/c1-7-9(13-14(4)10(7)12)11(2,3)8-5-6-8/h8H,5-6,12H2,1-4H3
InChIKeyBBJMWVMCHOVJKW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.00
Rot. Bonds2

About 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine

3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine (PubChem CID 165499274) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine
PubChem CID165499274
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine
SMILESCc1c(C(C)(C)C2CC2)nn(C)c1N
InChIInChI=1S/C11H19N3/c1-7-9(13-14(4)10(7)12)11(2,3)8-5-6-8/h8H,5-6,12H2,1-4H3
InChIKeyBBJMWVMCHOVJKW-UHFFFAOYSA-N
XLogP2.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine?
The IUPAC name of 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine (CID 165499274) is 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine.
What is the SMILES notation for 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine?
The canonical SMILES for 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine is Cc1c(C(C)(C)C2CC2)nn(C)c1N.
What is the InChIKey of 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine?
The InChIKey is BBJMWVMCHOVJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-7-9(13-14(4)10(7)12)11(2,3)8-5-6-8/h8H,5-6,12H2,1-4H3.
What are the key properties of 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine?
3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine has a molecular weight of 193.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylpropan-2-yl)-1,4-dimethylpyrazol-5-amine is sourced from PubChem (CID 165499274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).