5-propan-2-yl-1H-pyrazol-3-amine

C6H11N3 — CID 2769527

IUPAC5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1cc(N)n[nH]1
InChIInChI=1S/C6H11N3/c1-4(2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9)
InChIKeyINSBBZDRQQVATI-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.12
Rot. Bonds1

About 5-propan-2-yl-1H-pyrazol-3-amine

5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 2769527) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID2769527
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1cc(N)n[nH]1
InChIInChI=1S/C6H11N3/c1-4(2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9)
InChIKeyINSBBZDRQQVATI-UHFFFAOYSA-N
XLogP1.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-propan-2-yl-1H-pyrazol-3-amine (CID 2769527) is 5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-propan-2-yl-1H-pyrazol-3-amine is CC(C)c1cc(N)n[nH]1.
What is the InChIKey of 5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is INSBBZDRQQVATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4(2)5-3-6(7)9-8-5/h3-4H,1-2H3,(H3,7,8,9).
What are the key properties of 5-propan-2-yl-1H-pyrazol-3-amine?
5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 125.17 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 2769527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).