2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol

C12H22ClN3O2 — CID 113468043

IUPAC2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCCc1nn(C)c(CN(CCO)CCOC)c1Cl
InChIInChI=1S/C12H22ClN3O2/c1-4-10-12(13)11(15(2)14-10)9-16(5-7-17)6-8-18-3/h17H,4-9H2,1-3H3
InChIKeyUHENNZCOICPQJB-UHFFFAOYSA-N
MW275.78 g/mol
LogP1.08
Rot. Bonds8

About 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol (PubChem CID 113468043) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol
PubChem CID113468043
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol
SMILESCCc1nn(C)c(CN(CCO)CCOC)c1Cl
InChIInChI=1S/C12H22ClN3O2/c1-4-10-12(13)11(15(2)14-10)9-16(5-7-17)6-8-18-3/h17H,4-9H2,1-3H3
InChIKeyUHENNZCOICPQJB-UHFFFAOYSA-N
XLogP1.08
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]butan-1-amine
CID 80672577
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426084
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methoxyethyl)amino]ethanol
CID 113467651
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927690
N'-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79661884
2-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]ethanol
CID 111436382
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927949
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-(2-methoxyethyl)amino]ethanol
CID 115613823
2-[2-methoxyethyl-[(1-propyltetrazol-5-yl)methyl]amino]ethanol
CID 115613663
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol?
The IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol (CID 113468043) is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol?
The canonical SMILES for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol is CCc1nn(C)c(CN(CCO)CCOC)c1Cl.
What is the InChIKey of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol?
The InChIKey is UHENNZCOICPQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O2/c1-4-10-12(13)11(15(2)14-10)9-16(5-7-17)6-8-18-3/h17H,4-9H2,1-3H3.
What are the key properties of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol?
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol has a molecular weight of 275.78 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl-(2-methoxyethyl)amino]ethanol is sourced from PubChem (CID 113468043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).