(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol

C16H20N2O2 — CID 103572651

IUPAC(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cccc(OC3CC3)c2)cn1
InChIInChI=1S/C16H20N2O2/c1-2-8-18-11-13(10-17-18)16(19)12-4-3-5-15(9-12)20-14-6-7-14/h3-5,9-11,14,16,19H,2,6-8H2,1H3
InChIKeyLDWUEZQDCPNAMU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds6

About (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol

(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol (PubChem CID 103572651) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol
PubChem CID103572651
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)c2cccc(OC3CC3)c2)cn1
InChIInChI=1S/C16H20N2O2/c1-2-8-18-11-13(10-17-18)16(19)12-4-3-5-15(9-12)20-14-6-7-14/h3-5,9-11,14,16,19H,2,6-8H2,1H3
InChIKeyLDWUEZQDCPNAMU-UHFFFAOYSA-N
XLogP2.92
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
CID 114520812
(3-cyclopropyloxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 114520938
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
(3-cyclopropyloxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115838514
(3,5-dibromophenyl)-(1-propylpyrazol-4-yl)methanol
CID 114023332
(3-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105131524
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol (CID 103572651) is (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)c2cccc(OC3CC3)c2)cn1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol?
The InChIKey is LDWUEZQDCPNAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-8-18-11-13(10-17-18)16(19)12-4-3-5-15(9-12)20-14-6-7-14/h3-5,9-11,14,16,19H,2,6-8H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol?
(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol has a molecular weight of 272.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103572651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).