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

C21H15Cl3FN5O — CID 19345665

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)nn1Cc1ccc(F)cc1Cl
InChIInChI=1S/C21H15Cl3FN5O/c1-11-6-20(29-30(11)10-12-2-4-14(25)8-16(12)23)26-21(31)19-9-18(27-28-19)15-5-3-13(22)7-17(15)24/h2-9H,10H2,1H3,(H,27,28)(H,26,29,31)
InChIKeyRTLQIQKTKLTLLH-UHFFFAOYSA-N
MW478.74 g/mol
LogP5.98
Rot. Bonds5

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

N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19345665) has the molecular formula C21H15Cl3FN5O and a molecular weight of 478.74 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19345665
Molecular FormulaC21H15Cl3FN5O
Molecular Weight478.74 g/mol
Exact Mass477.03
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)nn1Cc1ccc(F)cc1Cl
InChIInChI=1S/C21H15Cl3FN5O/c1-11-6-20(29-30(11)10-12-2-4-14(25)8-16(12)23)26-21(31)19-9-18(27-28-19)15-5-3-13(22)7-17(15)24/h2-9H,10H2,1H3,(H,27,28)(H,26,29,31)
InChIKeyRTLQIQKTKLTLLH-UHFFFAOYSA-N
XLogP5.98
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.74
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135776460
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509496
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337383
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19345604
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19345682
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(4-chlorophenoxy)methyl]furan-2-carboxamide
CID 19345522
5-[[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494392
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-ethylbutanamide
CID 19337125
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337293

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19345665) is N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)nn1Cc1ccc(F)cc1Cl.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RTLQIQKTKLTLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3FN5O/c1-11-6-20(29-30(11)10-12-2-4-14(25)8-16(12)23)26-21(31)19-9-18(27-28-19)15-5-3-13(22)7-17(15)24/h2-9H,10H2,1H3,(H,27,28)(H,26,29,31).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 478.74 g/mol, XLogP of 5.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19345665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).