5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

C19H17ClFN3O — CID 18292119

IUPAC5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-12-3-5-14(6-4-12)11-24-18(20)17(13(2)23-24)19(25)22-16-9-7-15(21)8-10-16/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyTZOOZSRGNCTIKW-UHFFFAOYSA-N
MW357.82 g/mol
LogP4.59
Rot. Bonds4

About 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (PubChem CID 18292119) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
PubChem CID18292119
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC Name5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(F)cc3)c2Cl)cc1
InChIInChI=1S/C19H17ClFN3O/c1-12-3-5-14(6-4-12)11-24-18(20)17(13(2)23-24)19(25)22-16-9-7-15(21)8-10-16/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyTZOOZSRGNCTIKW-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 33155398
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
5-chloro-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26246271
5-chloro-1-[(4-fluorophenyl)methyl]-N-(6-methoxy-3-pyridinyl)-3-methylpyrazole-4-carboxamide
CID 26018248
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 55812614
N-(4-acetamido-3-methylphenyl)-5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 46550260
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(tetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 26728785
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
CID 46533344
N-(3-carbamoylphenyl)-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46530418
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 29201762
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 37363146
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide (CID 18292119) is 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(F)cc3)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
The InChIKey is TZOOZSRGNCTIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c1-12-3-5-14(6-4-12)11-24-18(20)17(13(2)23-24)19(25)22-16-9-7-15(21)8-10-16/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide?
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide has a molecular weight of 357.82 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18292119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).