(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol

C12H17ClN4O — CID 114638084

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1c(Cl)cnn1CC
InChIInChI=1S/C12H17ClN4O/c1-4-10-8(7-16(3)15-10)12(18)11-9(13)6-14-17(11)5-2/h6-7,12,18H,4-5H2,1-3H3
InChIKeyOWZDCZWOFJWZGW-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.93
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol (PubChem CID 114638084) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
PubChem CID114638084
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
SMILESCCc1nn(C)cc1C(O)c1c(Cl)cnn1CC
InChIInChI=1S/C12H17ClN4O/c1-4-10-8(7-16(3)15-10)12(18)11-9(13)6-14-17(11)5-2/h6-7,12,18H,4-5H2,1-3H3
InChIKeyOWZDCZWOFJWZGW-UHFFFAOYSA-N
XLogP1.93
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanamine
CID 102812843
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105127736
(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638085
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(4-bromo-1-ethylpyrazol-5-yl)-(1,3-dimethylpyrazol-4-yl)methanol
CID 114638019
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(4-chloro-1-ethylpyrazol-5-yl)-(thiadiazol-5-yl)methanol
CID 105127770
(3-bromo-1-methylpyrazol-4-yl)-(1,3-diethylpyrazol-4-yl)methanol
CID 164719582
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol (CID 114638084) is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol is CCc1nn(C)cc1C(O)c1c(Cl)cnn1CC.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol?
The InChIKey is OWZDCZWOFJWZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-4-10-8(7-16(3)15-10)12(18)11-9(13)6-14-17(11)5-2/h6-7,12,18H,4-5H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol has a molecular weight of 268.75 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 114638084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).