N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine

C18H16ClN3O — CID 171980968

IUPACN-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1n[nH]c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-12-17(13-7-9-15(19)10-8-13)18(22-21-12)20-11-14-5-3-4-6-16(14)23-2/h3-11H,1-2H3,(H,21,22)/b20-11+
InChIKeyCOOGWQKDBPVPKN-RGVLZGJSSA-N
MW325.80 g/mol
LogP4.80
Rot. Bonds4

About N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine

N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine (PubChem CID 171980968) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine
PubChem CID171980968
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine
SMILESCOc1ccccc1/C=N/c1n[nH]c(C)c1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O/c1-12-17(13-7-9-15(19)10-8-13)18(22-21-12)20-11-14-5-3-4-6-16(14)23-2/h3-11H,1-2H3,(H,21,22)/b20-11+
InChIKeyCOOGWQKDBPVPKN-RGVLZGJSSA-N
XLogP4.80
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methoxyphenyl)methanimine
CID 46501722
5-(4-chlorophenyl)-3-hydroxy-2-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)iminomethyl]cyclohex-2-en-1-one
CID 135456293
N-[4-(6-chloro-4-phenylquinolin-2-yl)phenyl]-1-(2-methoxyphenyl)methanimine
CID 23856286
3-(4-chlorophenyl)-4-[(E)-[(Z)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
CID 5350905
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
2-[[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]iminomethyl]-5-(4-fluorophenyl)-3-hydroxycyclohex-2-en-1-one
CID 135509704
3-hydroxy-2-[(5-methyl-4-phenyl-1H-pyrazol-3-yl)iminomethyl]-5-(3,4,5-trimethoxyphenyl)cyclohex-2-en-1-one
CID 135490332
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
N-(4,6-dimethylpyrimidin-2-yl)-1-(2-methoxyphenyl)methanimine
CID 4646455
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
1-(2-methoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22483125
(E)-N-(4,6-dimethyl-2-pyridinyl)-1-(2-methoxyphenyl)methanimine
CID 10633800

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine?
The IUPAC name of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine (CID 171980968) is N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine.
What is the SMILES notation for N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine?
The canonical SMILES for N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine is COc1ccccc1/C=N/c1n[nH]c(C)c1-c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine?
The InChIKey is COOGWQKDBPVPKN-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H16ClN3O/c1-12-17(13-7-9-15(19)10-8-13)18(22-21-12)20-11-14-5-3-4-6-16(14)23-2/h3-11H,1-2H3,(H,21,22)/b20-11+.
What are the key properties of N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine?
N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine has a molecular weight of 325.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-1-(2-methoxyphenyl)methanimine is sourced from PubChem (CID 171980968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).