1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile

C18H12Cl4N4 — CID 110171143

IUPAC1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile
SMILESN#Cc1cn(Cc2c(Cl)cccc2Cl)nc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl4N4/c19-14-3-1-4-15(20)12(14)8-24-18-11(7-23)9-26(25-18)10-13-16(21)5-2-6-17(13)22/h1-6,9H,8,10H2,(H,24,25)
InChIKeyMHKHNEKBIDPRAR-UHFFFAOYSA-N
MW426.13 g/mol
LogP6.03
Rot. Bonds5

About 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile

1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile (PubChem CID 110171143) has the molecular formula C18H12Cl4N4 and a molecular weight of 426.13 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile
PubChem CID110171143
Molecular FormulaC18H12Cl4N4
Molecular Weight426.13 g/mol
Exact Mass423.98
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile
SMILESN#Cc1cn(Cc2c(Cl)cccc2Cl)nc1NCc1c(Cl)cccc1Cl
InChIInChI=1S/C18H12Cl4N4/c19-14-3-1-4-15(20)12(14)8-24-18-11(7-23)9-26(25-18)10-13-16(21)5-2-6-17(13)22/h1-6,9H,8,10H2,(H,24,25)
InChIKeyMHKHNEKBIDPRAR-UHFFFAOYSA-N
XLogP6.03
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.13
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile 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

1-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitrophenyl)thiourea
CID 19401650
4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-nitropyrazole
CID 2992129
1-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-methylpropyl)thiourea
CID 19401662
4-bromo-1-[(2,6-dichlorophenyl)methyl]-3-iodopyrazole
CID 79784613
2-[4-[[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500724
3-chloro-2-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylamino]benzonitrile
CID 133445623
2-[[1-[(2-chlorophenyl)methyl]-4-cyanopyrazol-3-yl]carbamoyl]pyridine-3-carboxylic acid
CID 110171218
2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409055
1-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19401518
N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62730672
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555640
2-chloro-4-[(2-chloro-6-nitrophenyl)methylamino]benzonitrile
CID 63746639

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile (CID 110171143) is 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile is N#Cc1cn(Cc2c(Cl)cccc2Cl)nc1NCc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile?
The InChIKey is MHKHNEKBIDPRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl4N4/c19-14-3-1-4-15(20)12(14)8-24-18-11(7-23)9-26(25-18)10-13-16(21)5-2-6-17(13)22/h1-6,9H,8,10H2,(H,24,25).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile?
1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile has a molecular weight of 426.13 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-3-[(2,6-dichlorophenyl)methylamino]pyrazole-4-carbonitrile is sourced from PubChem (CID 110171143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).