4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole

C9H11ClN4 — CID 70967677

IUPAC4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
SMILESCc1ccn(-c2nn(C)c(C)c2Cl)n1
InChIInChI=1S/C9H11ClN4/c1-6-4-5-14(11-6)9-8(10)7(2)13(3)12-9/h4-5H,1-3H3
InChIKeyZEHVMDVVYXOIDB-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.88
Rot. Bonds1

About 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole

4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole (PubChem CID 70967677) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
PubChem CID70967677
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
SMILESCc1ccn(-c2nn(C)c(C)c2Cl)n1
InChIInChI=1S/C9H11ClN4/c1-6-4-5-14(11-6)9-8(10)7(2)13(3)12-9/h4-5H,1-3H3
InChIKeyZEHVMDVVYXOIDB-UHFFFAOYSA-N
XLogP1.88
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrazol-3-yl]methanamine
CID 70851823
4-Chloro-1,5-dimethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazole
CID 70967674
4-Fluoro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
CID 89032514
4-Fluoro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 89032531
4-chloro-5-methyl-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrazole
CID 117670063
4-Fluoro-1,3-dimethyl-5-pyrazol-1-ylpyrazole
CID 117670105
4-Fluoro-1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazole
CID 117670131
1-Tert-butyl-4-fluoro-5-methyl-3-(3-methylpyrazol-1-yl)pyrazole
CID 164029050
5-Pyrazol-1-yl-1,3-bis(trifluoromethyl)pyrazole
CID 169749626
1-(1-Methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazol-5-amine
CID 171789572
5-Methyl-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazole
CID 174731521
3,6-Bis(3-methylpyrazol-1-yl)pyridazine
CID 101920869

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The IUPAC name of 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole (CID 70967677) is 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole.
What is the SMILES notation for 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The canonical SMILES for 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole is Cc1ccn(-c2nn(C)c(C)c2Cl)n1.
What is the InChIKey of 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The InChIKey is ZEHVMDVVYXOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-6-4-5-14(11-6)9-8(10)7(2)13(3)12-9/h4-5H,1-3H3.
What are the key properties of 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole?
4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole has a molecular weight of 210.67 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-3-(3-methylpyrazol-1-yl)pyrazole is sourced from PubChem (CID 70967677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).