1-amino-3-(1H-pyrazol-5-yl)propan-2-ol

C6H11N3O — CID 90241782

IUPAC1-amino-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESNCC(O)Cc1ccn[nH]1
InChIInChI=1S/C6H11N3O/c7-4-6(10)3-5-1-2-8-9-5/h1-2,6,10H,3-4,7H2,(H,8,9)
InChIKeyMLBVMZKOKZHRSZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.73
Rot. Bonds3

About 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol

1-amino-3-(1H-pyrazol-5-yl)propan-2-ol (PubChem CID 90241782) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(1H-pyrazol-5-yl)propan-2-ol
PubChem CID90241782
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-amino-3-(1H-pyrazol-5-yl)propan-2-ol
SMILESNCC(O)Cc1ccn[nH]1
InChIInChI=1S/C6H11N3O/c7-4-6(10)3-5-1-2-8-9-5/h1-2,6,10H,3-4,7H2,(H,8,9)
InChIKeyMLBVMZKOKZHRSZ-UHFFFAOYSA-N
XLogP-0.73
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 ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol (CID 90241782) is 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol is NCC(O)Cc1ccn[nH]1.
What is the InChIKey of 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is MLBVMZKOKZHRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-4-6(10)3-5-1-2-8-9-5/h1-2,6,10H,3-4,7H2,(H,8,9).
What are the key properties of 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol?
1-amino-3-(1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 141.17 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 90241782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).