[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol

C12H17ClN4O2 — CID 114636774

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cnn(C)c1C
InChIInChI=1S/C12H17ClN4O2/c1-8-9(6-14-16(8)2)12(18)11-10(13)7-15-17(11)4-5-19-3/h6-7,12,18H,4-5H2,1-3H3
InChIKeyCAJLSAMXNVIYOV-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.31
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol (PubChem CID 114636774) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
PubChem CID114636774
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol
SMILESCOCCn1ncc(Cl)c1C(O)c1cnn(C)c1C
InChIInChI=1S/C12H17ClN4O2/c1-8-9(6-14-16(8)2)12(18)11-10(13)7-15-17(11)4-5-19-3/h6-7,12,18H,4-5H2,1-3H3
InChIKeyCAJLSAMXNVIYOV-UHFFFAOYSA-N
XLogP1.31
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methylphenyl)methanol
CID 114634869
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluoro-2-methylphenyl)methanol
CID 114635371
(5-amino-1H-pyrazol-4-yl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114643980
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3,5-dimethyl-2-pyridinyl)methanol
CID 114645430
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-ethoxyphenyl)methanol
CID 114634109
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpropan-1-ol
CID 114634657
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-methoxy-4-methylphenyl)methanol
CID 115839458
(4-bromo-3-methylphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 114637324
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-fluorophenyl)methanol
CID 114634599
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(6-chloro-3-pyridinyl)methanol
CID 114644952
(2-bromo-5-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839430
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-pyrazin-2-ylmethanol
CID 114643021

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol (CID 114636774) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol is COCCn1ncc(Cl)c1C(O)c1cnn(C)c1C.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
The InChIKey is CAJLSAMXNVIYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-8-9(6-14-16(8)2)12(18)11-10(13)7-15-17(11)4-5-19-3/h6-7,12,18H,4-5H2,1-3H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol has a molecular weight of 284.75 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1,5-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 114636774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).