1-(3H-pyrazol-4-yl)propan-2-amine

C6H11N3 — CID 158829094

IUPAC1-(3H-pyrazol-4-yl)propan-2-amine
SMILESCC(N)CC1=CN=NC1
InChIInChI=1S/C6H11N3/c1-5(7)2-6-3-8-9-4-6/h3,5H,2,4,7H2,1H3
InChIKeyQRGXLWXUQWFMHC-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.07
Rot. Bonds2

About 1-(3H-pyrazol-4-yl)propan-2-amine

1-(3H-pyrazol-4-yl)propan-2-amine (PubChem CID 158829094) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(3H-pyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3H-pyrazol-4-yl)propan-2-amine
PubChem CID158829094
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(3H-pyrazol-4-yl)propan-2-amine
SMILESCC(N)CC1=CN=NC1
InChIInChI=1S/C6H11N3/c1-5(7)2-6-3-8-9-4-6/h3,5H,2,4,7H2,1H3
InChIKeyQRGXLWXUQWFMHC-UHFFFAOYSA-N
XLogP1.07
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-pyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3H-pyrazol-4-yl)propan-2-amine (CID 158829094) is 1-(3H-pyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3H-pyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3H-pyrazol-4-yl)propan-2-amine is CC(N)CC1=CN=NC1.
What is the InChIKey of 1-(3H-pyrazol-4-yl)propan-2-amine?
The InChIKey is QRGXLWXUQWFMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(7)2-6-3-8-9-4-6/h3,5H,2,4,7H2,1H3.
What are the key properties of 1-(3H-pyrazol-4-yl)propan-2-amine?
1-(3H-pyrazol-4-yl)propan-2-amine has a molecular weight of 125.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-pyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 158829094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).