[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol

C16H20N2O2 — CID 66437251

IUPAC[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CCCOc2ccccc2)c1C1CC1
InChIInChI=1S/C16H20N2O2/c19-12-14-11-17-18(16(14)13-7-8-13)9-4-10-20-15-5-2-1-3-6-15/h1-3,5-6,11,13,19H,4,7-10,12H2
InChIKeyYQDUJAKHYAPCSJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.72
Rot. Bonds7

About [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol

[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol (PubChem CID 66437251) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol
PubChem CID66437251
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CCCOc2ccccc2)c1C1CC1
InChIInChI=1S/C16H20N2O2/c19-12-14-11-17-18(16(14)13-7-8-13)9-4-10-20-15-5-2-1-3-6-15/h1-3,5-6,11,13,19H,4,7-10,12H2
InChIKeyYQDUJAKHYAPCSJ-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
CID 66438332
[1-[(2-chlorophenyl)methyl]-5-cyclopropylpyrazol-4-yl]methanol
CID 66437255
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
4-(2-chloroethoxy)-1-(3-phenoxypropyl)piperidine
CID 82701439
1-(3-phenoxypropyl)pyrazole
CID 55028379
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
5-(chloromethyl)-1-(3-phenoxypropyl)tetrazole
CID 55108949
3-(3-phenoxypropyl)-5-phenylimidazolidine-2,4-dione
CID 84571229
3-(3-phenoxypropyl)-3-azabicyclo[3.1.0]hexane
CID 91429210

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol (CID 66437251) is [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol is OCc1cnn(CCCOc2ccccc2)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol?
The InChIKey is YQDUJAKHYAPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-12-14-11-17-18(16(14)13-7-8-13)9-4-10-20-15-5-2-1-3-6-15/h1-3,5-6,11,13,19H,4,7-10,12H2.
What are the key properties of [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol?
[5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(3-phenoxypropyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66437251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).