N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide

C26H22ClFN4O2 — CID 55670188

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C26H22ClFN4O2/c1-16-5-4-6-17(13-16)24-21(15-32(30-24)20-10-8-19(28)9-11-20)25(33)29-23-14-18(7-12-22(23)27)26(34)31(2)3/h4-15H,1-3H3,(H,29,33)
InChIKeyNYNNKWRGPQQKLG-UHFFFAOYSA-N
MW476.94 g/mol
LogP5.59
Rot. Bonds5

About N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55670188) has the molecular formula C26H22ClFN4O2 and a molecular weight of 476.94 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
PubChem CID55670188
Molecular FormulaC26H22ClFN4O2
Molecular Weight476.94 g/mol
Exact Mass476.14
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1
InChIInChI=1S/C26H22ClFN4O2/c1-16-5-4-6-17(13-16)24-21(15-32(30-24)20-10-8-19(28)9-11-20)25(33)29-23-14-18(7-12-22(23)27)26(34)31(2)3/h4-15H,1-3H3,(H,29,33)
InChIKeyNYNNKWRGPQQKLG-UHFFFAOYSA-N
XLogP5.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46518005
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 112833610
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-methylsulfonylpyrazole-4-carboxamide
CID 146154633
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 30866504
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 24681997
N-(4-acetamido-2-chlorophenyl)-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 56580220
propan-2-yl 2-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56543733
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 46593839
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 46652667
N-[2-[(dimethylamino)methyl]phenyl]-1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 38438530
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 40795701

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide (CID 55670188) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide is Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2cc(C(=O)N(C)C)ccc2Cl)c1.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is NYNNKWRGPQQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O2/c1-16-5-4-6-17(13-16)24-21(15-32(30-24)20-10-8-19(28)9-11-20)25(33)29-23-14-18(7-12-22(23)27)26(34)31(2)3/h4-15H,1-3H3,(H,29,33).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 476.94 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55670188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).