3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C8H15N3 — CID 3031275

IUPAC3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1N
InChIInChI=1S/C8H15N3/c1-5(2)11-7(4)8(9)6(3)10-11/h5H,9H2,1-4H3
InChIKeyYWDXPQXEGATNSX-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.66
Rot. Bonds1

About 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 3031275) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID3031275
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1N
InChIInChI=1S/C8H15N3/c1-5(2)11-7(4)8(9)6(3)10-11/h5H,9H2,1-4H3
InChIKeyYWDXPQXEGATNSX-UHFFFAOYSA-N
XLogP1.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 3031275) is 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is YWDXPQXEGATNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-5(2)11-7(4)8(9)6(3)10-11/h5H,9H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 3031275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).