4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole

C9H11ClN4 — CID 70851888

IUPAC4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole
SMILESCCn1cc(Cl)c(-n2ccc(C)n2)n1
InChIInChI=1S/C9H11ClN4/c1-3-13-6-8(10)9(12-13)14-5-4-7(2)11-14/h4-6H,3H2,1-2H3
InChIKeyNXKDJLWOTCPGLP-UHFFFAOYSA-N
MW210.67 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole

4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole (PubChem CID 70851888) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole.

Molecular Properties

Compound Name4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole
PubChem CID70851888
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole
SMILESCCn1cc(Cl)c(-n2ccc(C)n2)n1
InChIInChI=1S/C9H11ClN4/c1-3-13-6-8(10)9(12-13)14-5-4-7(2)11-14/h4-6H,3H2,1-2H3
InChIKeyNXKDJLWOTCPGLP-UHFFFAOYSA-N
XLogP2.05
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-2'h-[1,3']bipyrazolyl
CID 12560594
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
[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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The IUPAC name of 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole (CID 70851888) is 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole.
What is the SMILES notation for 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The canonical SMILES for 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole is CCn1cc(Cl)c(-n2ccc(C)n2)n1.
What is the InChIKey of 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole?
The InChIKey is NXKDJLWOTCPGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-3-13-6-8(10)9(12-13)14-5-4-7(2)11-14/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole?
4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole has a molecular weight of 210.67 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-3-(3-methylpyrazol-1-yl)pyrazole is sourced from PubChem (CID 70851888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).