4-butyl-4,5-dihydro-1H-pyrazol-5-ol

C7H14N2O — CID 175208956

IUPAC4-butyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCCCCC1C=NNC1O
InChIInChI=1S/C7H14N2O/c1-2-3-4-6-5-8-9-7(6)10/h5-7,9-10H,2-4H2,1H3
InChIKeyIQOHIAWJEWCULW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.70
Rot. Bonds3

About 4-butyl-4,5-dihydro-1H-pyrazol-5-ol

4-butyl-4,5-dihydro-1H-pyrazol-5-ol (PubChem CID 175208956) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-butyl-4,5-dihydro-1H-pyrazol-5-ol.

Molecular Properties

Compound Name4-butyl-4,5-dihydro-1H-pyrazol-5-ol
PubChem CID175208956
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4-butyl-4,5-dihydro-1H-pyrazol-5-ol
SMILESCCCCC1C=NNC1O
InChIInChI=1S/C7H14N2O/c1-2-3-4-6-5-8-9-7(6)10/h5-7,9-10H,2-4H2,1H3
InChIKeyIQOHIAWJEWCULW-UHFFFAOYSA-N
XLogP0.70
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-4,5-dihydro-1H-pyrazol-5-ol
CID 135138749
3-propan-2-yl-4,5-dihydro-1H-pyrazol-5-ol
CID 163683395

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4,5-dihydro-1H-pyrazol-5-ol?
The IUPAC name of 4-butyl-4,5-dihydro-1H-pyrazol-5-ol (CID 175208956) is 4-butyl-4,5-dihydro-1H-pyrazol-5-ol.
What is the SMILES notation for 4-butyl-4,5-dihydro-1H-pyrazol-5-ol?
The canonical SMILES for 4-butyl-4,5-dihydro-1H-pyrazol-5-ol is CCCCC1C=NNC1O.
What is the InChIKey of 4-butyl-4,5-dihydro-1H-pyrazol-5-ol?
The InChIKey is IQOHIAWJEWCULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-4-6-5-8-9-7(6)10/h5-7,9-10H,2-4H2,1H3.
What are the key properties of 4-butyl-4,5-dihydro-1H-pyrazol-5-ol?
4-butyl-4,5-dihydro-1H-pyrazol-5-ol has a molecular weight of 142.20 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4,5-dihydro-1H-pyrazol-5-ol is sourced from PubChem (CID 175208956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).