4-(5-amino-1H-pyrazol-4-yl)butan-1-ol

C7H13N3O — CID 70548750

IUPAC4-(5-amino-1H-pyrazol-4-yl)butan-1-ol
SMILESNc1[nH]ncc1CCCCO
InChIInChI=1S/C7H13N3O/c8-7-6(5-9-10-7)3-1-2-4-11/h5,11H,1-4H2,(H3,8,9,10)
InChIKeyXJBVBBGGYIMHJA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.31
Rot. Bonds4

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

4-(5-amino-1H-pyrazol-4-yl)butan-1-ol (PubChem CID 70548750) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-4-yl)butan-1-ol
PubChem CID70548750
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name4-(5-amino-1H-pyrazol-4-yl)butan-1-ol
SMILESNc1[nH]ncc1CCCCO
InChIInChI=1S/C7H13N3O/c8-7-6(5-9-10-7)3-1-2-4-11/h5,11H,1-4H2,(H3,8,9,10)
InChIKeyXJBVBBGGYIMHJA-UHFFFAOYSA-N
XLogP0.31
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol?
The IUPAC name of 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol (CID 70548750) is 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol?
The canonical SMILES for 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol is Nc1[nH]ncc1CCCCO.
What is the InChIKey of 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol?
The InChIKey is XJBVBBGGYIMHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-7-6(5-9-10-7)3-1-2-4-11/h5,11H,1-4H2,(H3,8,9,10).
What are the key properties of 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol?
4-(5-amino-1H-pyrazol-4-yl)butan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 70548750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).