1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol

C14H17ClN2O2 — CID 103027979

IUPAC1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-17-12(8-9-16-17)4-5-13(18)10-19-14-6-2-11(15)3-7-14/h2-3,6-9,13,18H,4-5,10H2,1H3
InChIKeyRCEMCDMVXYHCFH-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.45
Rot. Bonds6

About 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol

1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103027979) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103027979
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCn1nccc1CCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-17-12(8-9-16-17)4-5-13(18)10-19-14-6-2-11(15)3-7-14/h2-3,6-9,13,18H,4-5,10H2,1H3
InChIKeyRCEMCDMVXYHCFH-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103005996
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024384
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(4-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008038
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
4-methoxy-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103008347
5-[3-(chloromethyl)-4-(4-chlorophenyl)butyl]-1-methylpyrazole
CID 103018288
1-(3-chlorophenoxy)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030418
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
6-ethoxy-1-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103028081
1-(4-chlorophenoxy)-5-methylhex-5-en-2-ol
CID 105127338

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103027979) is 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol is Cn1nccc1CCC(O)COc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is RCEMCDMVXYHCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-17-12(8-9-16-17)4-5-13(18)10-19-14-6-2-11(15)3-7-14/h2-3,6-9,13,18H,4-5,10H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol?
1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 280.75 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103027979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).