3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine

C11H13ClN4 — CID 66022243

IUPAC3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine
SMILESCCCc1cc(Cl)n(-c2ccc(C)nn2)n1
InChIInChI=1S/C11H13ClN4/c1-3-4-9-7-10(12)16(15-9)11-6-5-8(2)13-14-11/h5-7H,3-4H2,1-2H3
InChIKeyHUWHRDNEUBFTEL-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.58
Rot. Bonds3

About 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine

3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine (PubChem CID 66022243) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine
PubChem CID66022243
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine
SMILESCCCc1cc(Cl)n(-c2ccc(C)nn2)n1
InChIInChI=1S/C11H13ClN4/c1-3-4-9-7-10(12)16(15-9)11-6-5-8(2)13-14-11/h5-7H,3-4H2,1-2H3
InChIKeyHUWHRDNEUBFTEL-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine?
The IUPAC name of 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine (CID 66022243) is 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine.
What is the SMILES notation for 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine?
The canonical SMILES for 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine is CCCc1cc(Cl)n(-c2ccc(C)nn2)n1.
What is the InChIKey of 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine?
The InChIKey is HUWHRDNEUBFTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-3-4-9-7-10(12)16(15-9)11-6-5-8(2)13-14-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine?
3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine has a molecular weight of 236.71 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-propylpyrazol-1-yl)-6-methylpyridazine is sourced from PubChem (CID 66022243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).