1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol

C14H16Cl2N2O — CID 62125731

IUPAC1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
SMILESCCn1cc(CC(O)Cc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C14H16Cl2N2O/c1-2-18-9-10(8-17-18)6-11(19)7-12-13(15)4-3-5-14(12)16/h3-5,8-9,11,19H,2,6-7H2,1H3
InChIKeyIAPYRYNELRGWNN-UHFFFAOYSA-N
MW299.20 g/mol
LogP3.36
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol

1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol (PubChem CID 62125731) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
PubChem CID62125731
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
SMILESCCn1cc(CC(O)Cc2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C14H16Cl2N2O/c1-2-18-9-10(8-17-18)6-11(19)7-12-13(15)4-3-5-14(12)16/h3-5,8-9,11,19H,2,6-7H2,1H3
InChIKeyIAPYRYNELRGWNN-UHFFFAOYSA-N
XLogP3.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
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1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465
1-(1-ethylpyrazol-4-yl)-4-pyridin-3-ylbutan-2-ol
CID 105082891
1-(1-ethylpyrazol-4-yl)-4-ethylsulfanylbutan-2-ol
CID 116504737
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
N-[1-(3-chloro-2-methylphenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 107102137
1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
CID 105082863
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol (CID 62125731) is 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol is CCn1cc(CC(O)Cc2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol?
The InChIKey is IAPYRYNELRGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c1-2-18-9-10(8-17-18)6-11(19)7-12-13(15)4-3-5-14(12)16/h3-5,8-9,11,19H,2,6-7H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol?
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol has a molecular weight of 299.20 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 62125731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).