3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole

C10H10ClN7 — CID 165474652

IUPAC3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-n1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C10H10ClN7/c1-16-6-12-14-10(16)18-9(11)5-7(15-18)8-3-4-13-17(8)2/h3-6H,1-2H3
InChIKeyONZUCWGYGIJONO-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.05
Rot. Bonds2

About 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole

3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole (PubChem CID 165474652) has the molecular formula C10H10ClN7 and a molecular weight of 263.69 g/mol. Its IUPAC name is 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
PubChem CID165474652
Molecular FormulaC10H10ClN7
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-n1nc(-c2ccnn2C)cc1Cl
InChIInChI=1S/C10H10ClN7/c1-16-6-12-14-10(16)18-9(11)5-7(15-18)8-3-4-13-17(8)2/h3-6H,1-2H3
InChIKeyONZUCWGYGIJONO-UHFFFAOYSA-N
XLogP1.05
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-3-(2-methylpyrazol-3-yl)-1-pentan-3-ylpyrazole
CID 165474574
2-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 165474575
5-chloro-1-(1-methoxypropan-2-yl)-3-(2-methylpyrazol-3-yl)pyrazole
CID 165474654
4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
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5-(3,4-dichlorophenyl)-1-methylpyrazole
CID 71232464
3,6-dichloro-4-(2-methylpyrazol-3-yl)pyridazine
CID 155683259
5-(4-chlorophenyl)-1-methylpyrazole
CID 12581093
2,4-dimethyl-6-(2-methylpyrazol-3-yl)pyridine
CID 90367967
3-(2-methylpyrazol-3-yl)-4-phenyl-1,2,4-triazole
CID 115393303
3-chloro-5-(2-methylpyrazol-3-yl)pyridine
CID 140655904
7-chloro-3-iodo-5-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridine
CID 168948418
[6-(2-methylpyrazol-3-yl)-2-pyridinyl]methanamine
CID 84661560

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole (CID 165474652) is 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole is Cn1cnnc1-n1nc(-c2ccnn2C)cc1Cl.
What is the InChIKey of 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole?
The InChIKey is ONZUCWGYGIJONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN7/c1-16-6-12-14-10(16)18-9(11)5-7(15-18)8-3-4-13-17(8)2/h3-6H,1-2H3.
What are the key properties of 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole?
3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole has a molecular weight of 263.69 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-3-(2-methylpyrazol-3-yl)pyrazol-1-yl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 165474652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).