3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine

C14H12ClN5O — CID 171090290

IUPAC3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
SMILESClc1cc(OCc2ccc(Cn3cccn3)cn2)cnn1
InChIInChI=1S/C14H12ClN5O/c15-14-6-13(8-17-19-14)21-10-12-3-2-11(7-16-12)9-20-5-1-4-18-20/h1-8H,9-10H2
InChIKeyMQHUIVWCPPNAMI-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.35
Rot. Bonds5

About 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine

3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine (PubChem CID 171090290) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
PubChem CID171090290
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine
SMILESClc1cc(OCc2ccc(Cn3cccn3)cn2)cnn1
InChIInChI=1S/C14H12ClN5O/c15-14-6-13(8-17-19-14)21-10-12-3-2-11(7-16-12)9-20-5-1-4-18-20/h1-8H,9-10H2
InChIKeyMQHUIVWCPPNAMI-UHFFFAOYSA-N
XLogP2.35
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(pyrazol-1-ylmethyl)phenoxy]methyl]pyridine
CID 141170950
1,1-diphenyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]methanimine
CID 165134114
N-methyl-N-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]oxyhydroxylamine
CID 172773915
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
CID 46562089
3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
CID 171090153
2-[1-[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 171059012
5,7-dimethyl-6-[[[5-[[4-(pyrazol-1-ylmethyl)phenyl]methoxy]pyridazin-3-yl]amino]methyl]isoquinolin-1-amine
CID 171090125
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
CID 167799715
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
5-(pyrazol-1-ylmethyl)-2-(trifluoromethyl)pyridine
CID 141098456
6-chloro-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridine
CID 177306536
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine?
The IUPAC name of 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine (CID 171090290) is 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine.
What is the SMILES notation for 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine?
The canonical SMILES for 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine is Clc1cc(OCc2ccc(Cn3cccn3)cn2)cnn1.
What is the InChIKey of 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine?
The InChIKey is MQHUIVWCPPNAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-14-6-13(8-17-19-14)21-10-12-3-2-11(7-16-12)9-20-5-1-4-18-20/h1-8H,9-10H2.
What are the key properties of 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine?
3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine has a molecular weight of 301.74 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[5-(pyrazol-1-ylmethyl)-2-pyridinyl]methoxy]pyridazine is sourced from PubChem (CID 171090290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).