3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine

C13H9ClN4 — CID 103294325

IUPAC3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine
SMILESClc1cccc(-c2cnn(-c3cccnn3)c2)c1
InChIInChI=1S/C13H9ClN4/c14-12-4-1-3-10(7-12)11-8-16-18(9-11)13-5-2-6-15-17-13/h1-9H
InChIKeyITDOMKYUEHHRBH-UHFFFAOYSA-N
MW256.70 g/mol
LogP2.98
Rot. Bonds2

About 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine

3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine (PubChem CID 103294325) has the molecular formula C13H9ClN4 and a molecular weight of 256.70 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine
PubChem CID103294325
Molecular FormulaC13H9ClN4
Molecular Weight256.70 g/mol
Exact Mass256.05
IUPAC Name3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine
SMILESClc1cccc(-c2cnn(-c3cccnn3)c2)c1
InChIInChI=1S/C13H9ClN4/c14-12-4-1-3-10(7-12)11-8-16-18(9-11)13-5-2-6-15-17-13/h1-9H
InChIKeyITDOMKYUEHHRBH-UHFFFAOYSA-N
XLogP2.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-pyridazin-3-ylpyrazol-4-yl)aniline
CID 63328494
4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 1479198
4-(3-chlorophenyl)-1-(4-ethoxyphenyl)pyrazole
CID 107958442
3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
CID 55113247
3-[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]aniline
CID 63338157
4-chloro-2-(4-phenylpyrazol-1-yl)benzenecarbothioamide
CID 63094017
(2S)-2-[4-(3-chlorophenyl)pyrazol-1-yl]propanoic acid
CID 97034148
5-chloro-2-(4-phenylpyrazol-1-yl)aniline
CID 62770426
2-(4-naphthalen-2-ylpyrazol-1-yl)pyridine
CID 10355830
2-[4-(3-chlorophenyl)pyrazol-1-yl]butanoic acid
CID 102547341
[6-(4-phenylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 55112671
3-[1-(5-bromo-4-methyl-2-pyridinyl)pyrazol-4-yl]aniline
CID 114869718

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine?
The IUPAC name of 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine (CID 103294325) is 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine?
The canonical SMILES for 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine is Clc1cccc(-c2cnn(-c3cccnn3)c2)c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine?
The InChIKey is ITDOMKYUEHHRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4/c14-12-4-1-3-10(7-12)11-8-16-18(9-11)13-5-2-6-15-17-13/h1-9H.
What are the key properties of 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine?
3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine has a molecular weight of 256.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)pyrazol-1-yl]pyridazine is sourced from PubChem (CID 103294325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).