(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

C13H17ClN4O — CID 105127736

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1c(Cl)cnn1CC
InChIInChI=1S/C13H17ClN4O/c1-4-11-9(6-8(3)16-17-11)13(19)12-10(14)7-15-18(12)5-2/h6-7,13,19H,4-5H2,1-3H3
InChIKeyYERUFISLIGOXAI-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.30
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol

(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (PubChem CID 105127736) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
PubChem CID105127736
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
SMILESCCc1nnc(C)cc1C(O)c1c(Cl)cnn1CC
InChIInChI=1S/C13H17ClN4O/c1-4-11-9(6-8(3)16-17-11)13(19)12-10(14)7-15-18(12)5-2/h6-7,13,19H,4-5H2,1-3H3
InChIKeyYERUFISLIGOXAI-UHFFFAOYSA-N
XLogP2.30
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2,6-dimethyl-3-pyridinyl)methanol
CID 105127775
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-1-methylpyrazol-4-yl)methanol
CID 114638084
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,6-dimethylpyridazin-4-yl)methanol
CID 105127216
(3,4-dichlorophenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanol
CID 105133302
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dimethylphenyl)methanol
CID 114635051
(4-chloro-1-ethylpyrazol-5-yl)-(4-methylthiadiazol-5-yl)methanol
CID 105127701
(3-ethyl-6-methylpyridazin-4-yl)-(2-propylpyrazol-3-yl)methanol
CID 105098012
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105182928
(4-chloro-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanol
CID 107978678
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
1-(4-chloro-1-ethylpyrazol-5-yl)-2-ethoxyethanol
CID 114644164
(4-chloro-1-ethylpyrazol-5-yl)-(1,3-thiazol-5-yl)methanol
CID 114638136

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol (CID 105127736) is (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol is CCc1nnc(C)cc1C(O)c1c(Cl)cnn1CC.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
The InChIKey is YERUFISLIGOXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-4-11-9(6-8(3)16-17-11)13(19)12-10(14)7-15-18(12)5-2/h6-7,13,19H,4-5H2,1-3H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol?
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethyl-6-methylpyridazin-4-yl)methanol has a molecular weight of 280.76 g/mol, XLogP of 2.30, 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-6-methylpyridazin-4-yl)methanol is sourced from PubChem (CID 105127736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).