3-(5-amino-1H-pyrazol-4-yl)propan-1-ol

C6H11N3O — CID 50989647

IUPAC3-(5-amino-1H-pyrazol-4-yl)propan-1-ol
SMILESNc1[nH]ncc1CCCO
InChIInChI=1S/C6H11N3O/c7-6-5(2-1-3-10)4-8-9-6/h4,10H,1-3H2,(H3,7,8,9)
InChIKeyXUNPVZHZKUQGTA-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.08
Rot. Bonds3

About 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol

3-(5-amino-1H-pyrazol-4-yl)propan-1-ol (PubChem CID 50989647) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)propan-1-ol
PubChem CID50989647
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)propan-1-ol
SMILESNc1[nH]ncc1CCCO
InChIInChI=1S/C6H11N3O/c7-6-5(2-1-3-10)4-8-9-6/h4,10H,1-3H2,(H3,7,8,9)
InChIKeyXUNPVZHZKUQGTA-UHFFFAOYSA-N
XLogP-0.08
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol (CID 50989647) is 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol is Nc1[nH]ncc1CCCO.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol?
The InChIKey is XUNPVZHZKUQGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-6-5(2-1-3-10)4-8-9-6/h4,10H,1-3H2,(H3,7,8,9).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol?
3-(5-amino-1H-pyrazol-4-yl)propan-1-ol has a molecular weight of 141.17 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 50989647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).