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

C7H12N2O — CID 19424665

IUPAC4-(1H-pyrazol-5-yl)butan-1-ol
SMILESOCCCCc1ccn[nH]1
InChIInChI=1S/C7H12N2O/c10-6-2-1-3-7-4-5-8-9-7/h4-5,10H,1-3,6H2,(H,8,9)
InChIKeyQKSXINHJVRDHAP-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds4

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

4-(1H-pyrazol-5-yl)butan-1-ol (PubChem CID 19424665) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)butan-1-ol
PubChem CID19424665
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-(1H-pyrazol-5-yl)butan-1-ol
SMILESOCCCCc1ccn[nH]1
InChIInChI=1S/C7H12N2O/c10-6-2-1-3-7-4-5-8-9-7/h4-5,10H,1-3,6H2,(H,8,9)
InChIKeyQKSXINHJVRDHAP-UHFFFAOYSA-N
XLogP0.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1H-pyrazol-5-yl)butan-1-ol?
The IUPAC name of 4-(1H-pyrazol-5-yl)butan-1-ol (CID 19424665) is 4-(1H-pyrazol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)butan-1-ol?
The canonical SMILES for 4-(1H-pyrazol-5-yl)butan-1-ol is OCCCCc1ccn[nH]1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)butan-1-ol?
The InChIKey is QKSXINHJVRDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-6-2-1-3-7-4-5-8-9-7/h4-5,10H,1-3,6H2,(H,8,9).
What are the key properties of 4-(1H-pyrazol-5-yl)butan-1-ol?
4-(1H-pyrazol-5-yl)butan-1-ol has a molecular weight of 140.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)butan-1-ol is sourced from PubChem (CID 19424665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).