N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide

C25H18Cl2N6O — CID 19281392

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H18Cl2N6O/c26-19-12-11-18(22(27)13-19)14-32-16-28-25(31-32)29-24(34)21-15-33(20-9-5-2-6-10-20)30-23(21)17-7-3-1-4-8-17/h1-13,15-16H,14H2,(H,29,31,34)
InChIKeyFSGAUIQEDUGSOV-UHFFFAOYSA-N
MW489.37 g/mol
LogP5.74
Rot. Bonds6

About N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide

N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19281392) has the molecular formula C25H18Cl2N6O and a molecular weight of 489.37 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19281392
Molecular FormulaC25H18Cl2N6O
Molecular Weight489.37 g/mol
Exact Mass488.09
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H18Cl2N6O/c26-19-12-11-18(22(27)13-19)14-32-16-28-25(31-32)29-24(34)21-15-33(20-9-5-2-6-10-20)30-23(21)17-7-3-1-4-8-17/h1-13,15-16H,14H2,(H,29,31,34)
InChIKeyFSGAUIQEDUGSOV-UHFFFAOYSA-N
XLogP5.74
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.37
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281399
3-(1-adamantyl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-phenylpyrazole-4-carboxamide
CID 19473779
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281350
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475940
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513082
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19396909
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509813
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
1-[2-[[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502265
N-(5-chloro-2,4-dimethoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 26210602

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide (CID 19281392) is N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide is O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is FSGAUIQEDUGSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N6O/c26-19-12-11-18(22(27)13-19)14-32-16-28-25(31-32)29-24(34)21-15-33(20-9-5-2-6-10-20)30-23(21)17-7-3-1-4-8-17/h1-13,15-16H,14H2,(H,29,31,34).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide?
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 489.37 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19281392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).