2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol

C17H21ClN2O — CID 115813118

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
SMILESCCc1nn(C)c(CC(O)C2CC2c2ccccc2)c1Cl
InChIInChI=1S/C17H21ClN2O/c1-3-14-17(18)15(20(2)19-14)10-16(21)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16,21H,3,9-10H2,1-2H3
InChIKeyINTUDRHWQPHWFS-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.34
Rot. Bonds5

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol (PubChem CID 115813118) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
PubChem CID115813118
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
SMILESCCc1nn(C)c(CC(O)C2CC2c2ccccc2)c1Cl
InChIInChI=1S/C17H21ClN2O/c1-3-14-17(18)15(20(2)19-14)10-16(21)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16,21H,3,9-10H2,1-2H3
InChIKeyINTUDRHWQPHWFS-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115813510
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103170079
(1S)-1-[(1S,2S)-2-phenylcyclopropyl]ethane-1,2-diol
CID 11769104
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104998503
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104998501
5-[3-bromo-2-(2-bromophenyl)propyl]-4-chloro-3-ethyl-1-methylpyrazole
CID 79455108
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 106672188
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)propanoic acid
CID 79431571
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-cyclooctylethanamine
CID 80603768

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol (CID 115813118) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol is CCc1nn(C)c(CC(O)C2CC2c2ccccc2)c1Cl.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol?
The InChIKey is INTUDRHWQPHWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-14-17(18)15(20(2)19-14)10-16(21)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13,16,21H,3,9-10H2,1-2H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol has a molecular weight of 304.82 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol is sourced from PubChem (CID 115813118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).