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

C14H16N2O2 — CID 114520812

IUPAC(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cccc(OC3CC3)c2)cn1
InChIInChI=1S/C14H16N2O2/c1-16-9-11(8-15-16)14(17)10-3-2-4-13(7-10)18-12-5-6-12/h2-4,7-9,12,14,17H,5-6H2,1H3
InChIKeyMOXCSZSMEHDEFB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.04
Rot. Bonds4

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

(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 114520812) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID114520812
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCn1cc(C(O)c2cccc(OC3CC3)c2)cn1
InChIInChI=1S/C14H16N2O2/c1-16-9-11(8-15-16)14(17)10-3-2-4-13(7-10)18-12-5-6-12/h2-4,7-9,12,14,17H,5-6H2,1H3
InChIKeyMOXCSZSMEHDEFB-UHFFFAOYSA-N
XLogP2.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-cyclopropyloxyphenyl)-(1-propylpyrazol-4-yl)methanol
CID 103572651
(3-cyclopropyloxyphenyl)-(3-iodophenyl)methanol
CID 115838435
(3-cyclopropyloxyphenyl)-(3-cyclopropylphenyl)methanol
CID 114520953
(3-cyclopropyloxyphenyl)-(3,5-difluorophenyl)methanol
CID 114521308
(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methanol
CID 115838445
(3-cyclopropyloxyphenyl)-(3-ethylimidazol-4-yl)methanol
CID 114520938
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
3-[hydroxy-(1-methylpyrazol-4-yl)methyl]benzonitrile
CID 115481066
(3-cyclopropyloxyphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103129281
(3-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanol
CID 114521398
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
(5-chloro-1,3-thiazol-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 107124992

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol (CID 114520812) is (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol is Cn1cc(C(O)c2cccc(OC3CC3)c2)cn1.
What is the InChIKey of (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is MOXCSZSMEHDEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-9-11(8-15-16)14(17)10-3-2-4-13(7-10)18-12-5-6-12/h2-4,7-9,12,14,17H,5-6H2,1H3.
What are the key properties of (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol?
(3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 244.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyloxyphenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114520812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).