1-(1H-pyrazol-4-yl)propan-1-amine

C6H11N3 — CID 62731706

IUPAC1-(1H-pyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-2-6(7)5-3-8-9-4-5/h3-4,6H,2,7H2,1H3,(H,8,9)
InChIKeyLNGVROOPSOPLSG-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.82
Rot. Bonds2

About 1-(1H-pyrazol-4-yl)propan-1-amine

1-(1H-pyrazol-4-yl)propan-1-amine (PubChem CID 62731706) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)propan-1-amine
PubChem CID62731706
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(1H-pyrazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn[nH]c1
InChIInChI=1S/C6H11N3/c1-2-6(7)5-3-8-9-4-5/h3-4,6H,2,7H2,1H3,(H,8,9)
InChIKeyLNGVROOPSOPLSG-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1H-pyrazol-4-yl)propan-1-amine (CID 62731706) is 1-(1H-pyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1H-pyrazol-4-yl)propan-1-amine is CCC(N)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)propan-1-amine?
The InChIKey is LNGVROOPSOPLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-6(7)5-3-8-9-4-5/h3-4,6H,2,7H2,1H3,(H,8,9).
What are the key properties of 1-(1H-pyrazol-4-yl)propan-1-amine?
1-(1H-pyrazol-4-yl)propan-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 62731706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).