1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine

C18H15Cl2N3 — CID 1219169

IUPAC1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3/c1-12-18(21-11-14-8-9-15(19)10-17(14)20)13(2)23(22-12)16-6-4-3-5-7-16/h3-11H,1-2H3/b21-11+
InChIKeyUYLLAMRRYVCVFG-SRZZPIQSSA-N
MW344.25 g/mol
LogP5.55
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine

1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine (PubChem CID 1219169) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine
PubChem CID1219169
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine
SMILESCc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H15Cl2N3/c1-12-18(21-11-14-8-9-15(19)10-17(14)20)13(2)23(22-12)16-6-4-3-5-7-16/h3-11H,1-2H3/b21-11+
InChIKeyUYLLAMRRYVCVFG-SRZZPIQSSA-N
XLogP5.55
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-phenyl-3,4-dihydropyrazol-5-yl)methanimine
CID 921717
3-chloro-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]benzoic acid
CID 170524797
3-(2,4-dichlorophenyl)-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 2145375
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9269421
1-(2,4-dichlorophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 3629789
5-(2,4-dichlorophenyl)-3-methyl-1-phenylpyrazole
CID 139225206
4-[[4-[(4-chlorophenyl)diazenyl]-2-hydroxyphenyl]methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 136798482
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidenehydrazine
CID 699347
2,4-dichloro-N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl]benzamide
CID 21369217

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine (CID 1219169) is 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine is Cc1nn(-c2ccccc2)c(C)c1/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine?
The InChIKey is UYLLAMRRYVCVFG-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c1-12-18(21-11-14-8-9-15(19)10-17(14)20)13(2)23(22-12)16-6-4-3-5-7-16/h3-11H,1-2H3/b21-11+.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine?
1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine has a molecular weight of 344.25 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanimine is sourced from PubChem (CID 1219169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).