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

C17H12Cl2N6O2 — CID 19514005

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H12Cl2N6O2/c18-11-4-3-10(12(19)6-11)8-25-9-20-17(24-25)21-16(26)14-7-13(22-23-14)15-2-1-5-27-15/h1-7,9H,8H2,(H,22,23)(H,21,24,26)
InChIKeyHTUGFUVBQKEWAT-UHFFFAOYSA-N
MW403.23 g/mol
LogP3.87
Rot. Bonds5

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

N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 19514005) has the molecular formula C17H12Cl2N6O2 and a molecular weight of 403.23 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID19514005
Molecular FormulaC17H12Cl2N6O2
Molecular Weight403.23 g/mol
Exact Mass402.04
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C17H12Cl2N6O2/c18-11-4-3-10(12(19)6-11)8-25-9-20-17(24-25)21-16(26)14-7-13(22-23-14)15-2-1-5-27-15/h1-7,9H,8H2,(H,22,23)(H,21,24,26)
InChIKeyHTUGFUVBQKEWAT-UHFFFAOYSA-N
XLogP3.87
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509813
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513082
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475940
N-(5-chloro-1-methylbenzimidazol-2-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 86868766
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzamide
CID 4867176
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482218
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281392
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-7-(1,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466657
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270302
1-[2-[[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502265
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508284
N-(2-benzyl-5-methylpyrazol-3-yl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 35535221

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 19514005) is N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is O=C(Nc1ncn(Cc2ccc(Cl)cc2Cl)n1)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is HTUGFUVBQKEWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N6O2/c18-11-4-3-10(12(19)6-11)8-25-9-20-17(24-25)21-16(26)14-7-13(22-23-14)15-2-1-5-27-15/h1-7,9H,8H2,(H,22,23)(H,21,24,26).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 403.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 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]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19514005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).