3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol

C12H14N2O — CID 2805406

IUPAC3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
SMILESOCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H14N2O/c15-8-4-7-11-9-12(14-13-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,13,14)
InChIKeyFLAGTEWKRZLAAU-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.00
Rot. Bonds4

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

3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol (PubChem CID 2805406) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
PubChem CID2805406
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol
SMILESOCCCc1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C12H14N2O/c15-8-4-7-11-9-12(14-13-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,13,14)
InChIKeyFLAGTEWKRZLAAU-UHFFFAOYSA-N
XLogP2.00
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol (CID 2805406) is 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol is OCCCc1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol?
The InChIKey is FLAGTEWKRZLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-8-4-7-11-9-12(14-13-11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H,13,14).
What are the key properties of 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol?
3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol has a molecular weight of 202.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenyl-1H-pyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 2805406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).