2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol

C7H11ClN2O — CID 19616519

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(C)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3
InChIKeyZPGSKABZTAMJDN-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.15
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol

2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 19616519) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
PubChem CID19616519
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(C)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3
InChIKeyZPGSKABZTAMJDN-UHFFFAOYSA-N
XLogP1.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
CID 919266
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
4-chloro-1,3,5-trimethyl-1 H-pyrazole
CID 13951696
(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methanol
CID 7018577
(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acid
CID 1876853
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 19619764
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
CID 3806122
3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanenitrile
CID 7017522
[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetic acid
CID 1229759
2-[4-Chloro-3-(fluoromethyl)-5-methylpyrazol-1-yl]acetic acid
CID 71056319
2-[4-Chloro-3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 86724385
5-(Bromomethyl)-4-chloro-1-(2-ethylperoxyethyl)-3-(trifluoromethyl)pyrazole
CID 89032436

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol (CID 19616519) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol is Cc1nn(CCO)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is ZPGSKABZTAMJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 174.63 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 19616519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).