4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

C13H9Cl3N6O — CID 19479386

IUPAC4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1[nH]ncc1Cl
InChIInChI=1S/C13H9Cl3N6O/c14-8-2-1-3-9(15)7(8)5-22-6-17-13(21-22)19-12(23)11-10(16)4-18-20-11/h1-4,6H,5H2,(H,18,20)(H,19,21,23)
InChIKeyIIYVWLDETWARLH-UHFFFAOYSA-N
MW371.62 g/mol
LogP3.26
Rot. Bonds4

About 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide

4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19479386) has the molecular formula C13H9Cl3N6O and a molecular weight of 371.62 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID19479386
Molecular FormulaC13H9Cl3N6O
Molecular Weight371.62 g/mol
Exact Mass369.99
IUPAC Name4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1[nH]ncc1Cl
InChIInChI=1S/C13H9Cl3N6O/c14-8-2-1-3-9(15)7(8)5-22-6-17-13(21-22)19-12(23)11-10(16)4-18-20-11/h1-4,6H,5H2,(H,18,20)(H,19,21,23)
InChIKeyIIYVWLDETWARLH-UHFFFAOYSA-N
XLogP3.26
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.62
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479673
N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262606
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440752
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 19477357
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(2,6-dichlorophenyl)acetamide
CID 47059896
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276306
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19479317
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19544124
N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490981
4-[(2-chlorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 19503171
4-bromo-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262870
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19541580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide (CID 19479386) is 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1ncn(Cc2c(Cl)cccc2Cl)n1)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is IIYVWLDETWARLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N6O/c14-8-2-1-3-9(15)7(8)5-22-6-17-13(21-22)19-12(23)11-10(16)4-18-20-11/h1-4,6H,5H2,(H,18,20)(H,19,21,23).
What are the key properties of 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 371.62 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).