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

C9H17N3 — CID 153292465

IUPAC1,4-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1cnn(C(C)C)c1N
InChIInChI=1S/C9H17N3/c1-6(2)8-5-11-12(7(3)4)9(8)10/h5-7H,10H2,1-4H3
InChIKeyVSYIIJBFDUBCIG-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.17
Rot. Bonds2

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

1,4-di(propan-2-yl)pyrazol-5-amine (PubChem CID 153292465) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)pyrazol-5-amine
PubChem CID153292465
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1,4-di(propan-2-yl)pyrazol-5-amine
SMILESCC(C)c1cnn(C(C)C)c1N
InChIInChI=1S/C9H17N3/c1-6(2)8-5-11-12(7(3)4)9(8)10/h5-7H,10H2,1-4H3
InChIKeyVSYIIJBFDUBCIG-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)pyrazol-5-amine?
The IUPAC name of 1,4-di(propan-2-yl)pyrazol-5-amine (CID 153292465) is 1,4-di(propan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 1,4-di(propan-2-yl)pyrazol-5-amine?
The canonical SMILES for 1,4-di(propan-2-yl)pyrazol-5-amine is CC(C)c1cnn(C(C)C)c1N.
What is the InChIKey of 1,4-di(propan-2-yl)pyrazol-5-amine?
The InChIKey is VSYIIJBFDUBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-5-11-12(7(3)4)9(8)10/h5-7H,10H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)pyrazol-5-amine?
1,4-di(propan-2-yl)pyrazol-5-amine has a molecular weight of 167.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 153292465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).