1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine

C10H19N3 — CID 83530248

IUPAC1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1nn(C)c(N)c1C(C)C
InChIInChI=1S/C10H19N3/c1-6(2)8-9(7(3)4)12-13(5)10(8)11/h6-7H,11H2,1-5H3
InChIKeyKWSIAWDCEWGXNS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.25
Rot. Bonds2

About 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine

1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine (PubChem CID 83530248) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine
PubChem CID83530248
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1nn(C)c(N)c1C(C)C
InChIInChI=1S/C10H19N3/c1-6(2)8-9(7(3)4)12-13(5)10(8)11/h6-7H,11H2,1-5H3
InChIKeyKWSIAWDCEWGXNS-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine (CID 83530248) is 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine is CC(C)c1nn(C)c(N)c1C(C)C.
What is the InChIKey of 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine?
The InChIKey is KWSIAWDCEWGXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-6(2)8-9(7(3)4)12-13(5)10(8)11/h6-7H,11H2,1-5H3.
What are the key properties of 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine?
1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine has a molecular weight of 181.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-di(propan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 83530248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).