N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

C27H20Cl3N5O — CID 19473442

IUPACN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C27H20Cl3N5O/c1-17-24(25(19-8-4-2-5-9-19)32-35(17)20-10-6-3-7-11-20)27(36)31-26-23(30)16-34(33-26)15-18-12-13-21(28)22(29)14-18/h2-14,16H,15H2,1H3,(H,31,33,36)
InChIKeyMCRQPEDGSPWDHP-UHFFFAOYSA-N
MW536.85 g/mol
LogP7.31
Rot. Bonds6

About N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 19473442) has the molecular formula C27H20Cl3N5O and a molecular weight of 536.85 g/mol. Its IUPAC name is N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
PubChem CID19473442
Molecular FormulaC27H20Cl3N5O
Molecular Weight536.85 g/mol
Exact Mass535.07
IUPAC NameN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C27H20Cl3N5O/c1-17-24(25(19-8-4-2-5-9-19)32-35(17)20-10-6-3-7-11-20)27(36)31-26-23(30)16-34(33-26)15-18-12-13-21(28)22(29)14-18/h2-14,16H,15H2,1H3,(H,31,33,36)
InChIKeyMCRQPEDGSPWDHP-UHFFFAOYSA-N
XLogP7.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.85
LogP ≤ 57.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4-chloropyrazol-3-yl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473450
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477710
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281350
N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477668
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 19398786
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19284247
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 998979
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474899
N-(1-benzyl-4-chloropyrazol-3-yl)-2-methylbenzamide
CID 19400825
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19262280
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
N-(1-benzyl-4-chloropyrazol-3-yl)-2,5-dimethylbenzamide
CID 19400769

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide (CID 19473442) is N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is MCRQPEDGSPWDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl3N5O/c1-17-24(25(19-8-4-2-5-9-19)32-35(17)20-10-6-3-7-11-20)27(36)31-26-23(30)16-34(33-26)15-18-12-13-21(28)22(29)14-18/h2-14,16H,15H2,1H3,(H,31,33,36).
What are the key properties of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide?
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 536.85 g/mol, XLogP of 7.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methyl-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 19473442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).