5-propyl-1H-pyrazol-3-amine

C6H11N3 — CID 22265684

IUPAC5-propyl-1H-pyrazol-3-amine
SMILESCCCc1cc(N)n[nH]1
InChIInChI=1S/C6H11N3/c1-2-3-5-4-6(7)9-8-5/h4H,2-3H2,1H3,(H3,7,8,9)
InChIKeySNRYBQUHJRIMJO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.94
Rot. Bonds2

About 5-propyl-1H-pyrazol-3-amine

5-propyl-1H-pyrazol-3-amine (PubChem CID 22265684) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-propyl-1H-pyrazol-3-amine
PubChem CID22265684
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name5-propyl-1H-pyrazol-3-amine
SMILESCCCc1cc(N)n[nH]1
InChIInChI=1S/C6H11N3/c1-2-3-5-4-6(7)9-8-5/h4H,2-3H2,1H3,(H3,7,8,9)
InChIKeySNRYBQUHJRIMJO-UHFFFAOYSA-N
XLogP0.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-propyl-1H-pyrazol-3-amine (CID 22265684) is 5-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-propyl-1H-pyrazol-3-amine is CCCc1cc(N)n[nH]1.
What is the InChIKey of 5-propyl-1H-pyrazol-3-amine?
The InChIKey is SNRYBQUHJRIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-5-4-6(7)9-8-5/h4H,2-3H2,1H3,(H3,7,8,9).
What are the key properties of 5-propyl-1H-pyrazol-3-amine?
5-propyl-1H-pyrazol-3-amine has a molecular weight of 125.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 22265684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).