4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole

C8H9ClN4 — CID 89147277

IUPAC4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
SMILESCc1c(Cl)c(-n2cccn2)nn1C
InChIInChI=1S/C8H9ClN4/c1-6-7(9)8(11-12(6)2)13-5-3-4-10-13/h3-5H,1-2H3
InChIKeyKMIMEXNFSYCDCM-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.57
Rot. Bonds1

About 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole

4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole (PubChem CID 89147277) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
PubChem CID89147277
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole
SMILESCc1c(Cl)c(-n2cccn2)nn1C
InChIInChI=1S/C8H9ClN4/c1-6-7(9)8(11-12(6)2)13-5-3-4-10-13/h3-5H,1-2H3
InChIKeyKMIMEXNFSYCDCM-UHFFFAOYSA-N
XLogP1.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.57
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-pyrazol-1-ylpyrazole?
The IUPAC name of 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole (CID 89147277) is 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole.
What is the SMILES notation for 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole?
The canonical SMILES for 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole is Cc1c(Cl)c(-n2cccn2)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole?
The InChIKey is KMIMEXNFSYCDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-6-7(9)8(11-12(6)2)13-5-3-4-10-13/h3-5H,1-2H3.
What are the key properties of 4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole?
4-chloro-1,5-dimethyl-3-pyrazol-1-ylpyrazole has a molecular weight of 196.64 g/mol, XLogP of 1.57, 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-pyrazol-1-ylpyrazole is sourced from PubChem (CID 89147277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).