[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium

C16H15Cl3N3+ — CID 140569965

IUPAC[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium
SMILES[NH3+]CC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14Cl3N3/c17-11-3-1-10(2-4-11)16-8-13(9-20)21-22(16)15-6-5-12(18)7-14(15)19/h1-7,16H,8-9,20H2/p+1
InChIKeyUPFXPAQJJZQLBM-UHFFFAOYSA-O
MW355.68 g/mol
LogP4.20
Rot. Bonds3

About [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium

[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium (PubChem CID 140569965) has the molecular formula C16H15Cl3N3+ and a molecular weight of 355.68 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium
PubChem CID140569965
Molecular FormulaC16H15Cl3N3+
Molecular Weight355.68 g/mol
Exact Mass354.03
IUPAC Name[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium
SMILES[NH3+]CC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H14Cl3N3/c17-11-3-1-10(2-4-11)16-8-13(9-20)21-22(16)15-6-5-12(18)7-14(15)19/h1-7,16H,8-9,20H2/p+1
InChIKeyUPFXPAQJJZQLBM-UHFFFAOYSA-O
XLogP4.20
TPSA43.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.68
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]heptanamide
CID 25056051
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N,N-diethyl-3,4-dihydropyrazole-5-carboxamide
CID 11339280
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-methyl-3,4-dihydropyrazole-5-carboxamide
CID 143394981
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
3-(4-chlorophenyl)-N-cyclopropyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 58326291
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 25057334
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-2,5-dimethoxybenzenesulfonamide
CID 59410978
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 59411144
N-[[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25056295
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 71161115
N-[[(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 59411095
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium?
The IUPAC name of [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium (CID 140569965) is [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium.
What is the SMILES notation for [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium?
The canonical SMILES for [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium is [NH3+]CC1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium?
The InChIKey is UPFXPAQJJZQLBM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14Cl3N3/c17-11-3-1-10(2-4-11)16-8-13(9-20)21-22(16)15-6-5-12(18)7-14(15)19/h1-7,16H,8-9,20H2/p+1.
What are the key properties of [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium?
[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium has a molecular weight of 355.68 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]methylazanium is sourced from PubChem (CID 140569965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).