3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine

C14H11ClN4O — CID 171090153

IUPAC3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
SMILESClc1cc(OCc2cnn(-c3ccccc3)c2)cnn1
InChIInChI=1S/C14H11ClN4O/c15-14-6-13(8-16-18-14)20-10-11-7-17-19(9-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyNCTVJXPCTXZQPR-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.89
Rot. Bonds4

About 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine

3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine (PubChem CID 171090153) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
PubChem CID171090153
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
SMILESClc1cc(OCc2cnn(-c3ccccc3)c2)cnn1
InChIInChI=1S/C14H11ClN4O/c15-14-6-13(8-16-18-14)20-10-11-7-17-19(9-11)12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyNCTVJXPCTXZQPR-UHFFFAOYSA-N
XLogP2.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine 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-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504
2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
CID 116804941
4-(iodomethyl)-1-[3-(phenoxymethyl)phenyl]pyrazole
CID 126676613
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
(6-chloro-3-pyridinyl)methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 46542882
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
1-phenyl-4-propylpyrazole
CID 12902534
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-4-yl]methanol
CID 170608510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine?
The IUPAC name of 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine (CID 171090153) is 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine.
What is the SMILES notation for 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine?
The canonical SMILES for 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine is Clc1cc(OCc2cnn(-c3ccccc3)c2)cnn1.
What is the InChIKey of 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine?
The InChIKey is NCTVJXPCTXZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-14-6-13(8-16-18-14)20-10-11-7-17-19(9-11)12-4-2-1-3-5-12/h1-9H,10H2.
What are the key properties of 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine?
3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine has a molecular weight of 286.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine is sourced from PubChem (CID 171090153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).