[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol

C16H19ClN2O2 — CID 114636920

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cccc(C2CC2)c1
InChIInChI=1S/C16H19ClN2O2/c1-21-8-7-19-15(14(17)10-18-19)16(20)13-4-2-3-12(9-13)11-5-6-11/h2-4,9-11,16,20H,5-8H2,1H3
InChIKeyHHRVSSXYJWDCJD-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.14
Rot. Bonds6

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol (PubChem CID 114636920) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol
PubChem CID114636920
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cccc(C2CC2)c1
InChIInChI=1S/C16H19ClN2O2/c1-21-8-7-19-15(14(17)10-18-19)16(20)13-4-2-3-12(9-13)11-5-6-11/h2-4,9-11,16,20H,5-8H2,1H3
InChIKeyHHRVSSXYJWDCJD-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-[4-(methoxymethyl)phenyl]methanol
CID 114636385
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylsulfanylphenyl)methanol
CID 106848319
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
CID 114636929
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methylphenyl)methanamine
CID 114646785
1-benzofuran-2-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114635082
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol (CID 114636920) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol is COCCn1ncc(Cl)c1C(O)c1cccc(C2CC2)c1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol?
The InChIKey is HHRVSSXYJWDCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-21-8-7-19-15(14(17)10-18-19)16(20)13-4-2-3-12(9-13)11-5-6-11/h2-4,9-11,16,20H,5-8H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol has a molecular weight of 306.79 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-cyclopropylphenyl)methanol is sourced from PubChem (CID 114636920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).