3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine

C11H13ClN4 — CID 103294464

IUPAC3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
SMILESCc1nn(-c2cccnn2)c(Cl)c1C(C)C
InChIInChI=1S/C11H13ClN4/c1-7(2)10-8(3)15-16(11(10)12)9-5-4-6-13-14-9/h4-7H,1-3H3
InChIKeyWULFSRLRKCHULV-UHFFFAOYSA-N
MW236.71 g/mol
LogP2.75
Rot. Bonds2

About 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine

3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine (PubChem CID 103294464) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
PubChem CID103294464
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine
SMILESCc1nn(-c2cccnn2)c(Cl)c1C(C)C
InChIInChI=1S/C11H13ClN4/c1-7(2)10-8(3)15-16(11(10)12)9-5-4-6-13-14-9/h4-7H,1-3H3
InChIKeyWULFSRLRKCHULV-UHFFFAOYSA-N
XLogP2.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-methyl-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294428
5-chloro-3-propan-2-yl-1-pyridazin-3-ylpyrazole-4-sulfonyl chloride
CID 103294611
3-propan-2-yl-1-pyridazin-3-ylpyrazol-5-amine
CID 103294292
4,5-dimethyl-2-pyridazin-3-ylpyrazol-3-amine
CID 103294294
5-chloro-1-pyridazin-3-yl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 103294248
3-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]pyridazine
CID 103294273
3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 103294582
5-chloro-3-cyclopentyl-1-pyridazin-3-ylpyrazole-4-carbaldehyde
CID 103294235
3-propan-2-yl-1-pyridazin-3-ylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 103294259
4-iodo-5-methyl-1-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 103293828
methyl 4-bromo-5-propan-2-yl-1-pyridazin-3-ylpyrazole-3-carboxylate
CID 103293788
1-[(2-bromophenyl)methyl]-5-chloro-3-methyl-4-propan-2-ylpyrazole
CID 66015913

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine (CID 103294464) is 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine is Cc1nn(-c2cccnn2)c(Cl)c1C(C)C.
What is the InChIKey of 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
The InChIKey is WULFSRLRKCHULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c1-7(2)10-8(3)15-16(11(10)12)9-5-4-6-13-14-9/h4-7H,1-3H3.
What are the key properties of 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine?
3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine has a molecular weight of 236.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-4-propan-2-ylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 103294464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).