1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole

C20H20Cl2N6 — CID 17026017

IUPAC1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H20Cl2N6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(21)7-18(14)22/h5-8,10-11H,9H2,1-4H3
InChIKeyUZTZREQOBVZVFG-UHFFFAOYSA-N
MW415.33 g/mol
LogP4.66
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole

1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole (PubChem CID 17026017) has the molecular formula C20H20Cl2N6 and a molecular weight of 415.33 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
PubChem CID17026017
Molecular FormulaC20H20Cl2N6
Molecular Weight415.33 g/mol
Exact Mass414.11
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
SMILESCc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H20Cl2N6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(21)7-18(14)22/h5-8,10-11H,9H2,1-4H3
InChIKeyUZTZREQOBVZVFG-UHFFFAOYSA-N
XLogP4.66
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dichlorophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 112705196
1-(3-chloro-4-methylphenyl)-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
CID 19588200
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
3-(2,4-dichlorophenyl)-5-(1,3-dimethylpyrazol-4-yl)-1,2,4-oxadiazole
CID 19326529
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylpyrazole-4-sulfonamide
CID 17022873
N-[(2,5-dichlorophenyl)methyl]-4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46987942
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052
[1-[(2,4-dichlorophenyl)methyl]-5-ethyltriazol-4-yl]methanamine
CID 82203709
1-[(2,4-dichlorophenyl)methyl]-3-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 91871325
[1-[(2,4-dichlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82697288
1-[(2,4-dichlorophenyl)methyl]-4-methyl-6-phenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 35715079
1-[(2,4-dichlorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 160768666

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole (CID 17026017) is 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole is Cc1nn(C)cc1-c1cc(-c2cn(C)nc2C)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The InChIKey is UZTZREQOBVZVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N6/c1-12-16(10-26(3)23-12)19-8-20(17-11-27(4)24-13(17)2)28(25-19)9-14-5-6-15(21)7-18(14)22/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole has a molecular weight of 415.33 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 17026017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).