N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide

C19H16Cl2FN3O — CID 110300163

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3ccc(Cl)cc3Cl)[nH]n2)ccc1F
InChIInChI=1S/C19H16Cl2FN3O/c1-11-8-13(3-5-16(11)22)17-10-18(25-24-17)19(26)23-7-6-12-2-4-14(20)9-15(12)21/h2-5,8-10H,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyYSHOCASASLCJAS-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.80
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 110300163) has the molecular formula C19H16Cl2FN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID110300163
Molecular FormulaC19H16Cl2FN3O
Molecular Weight392.26 g/mol
Exact Mass391.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCc3ccc(Cl)cc3Cl)[nH]n2)ccc1F
InChIInChI=1S/C19H16Cl2FN3O/c1-11-8-13(3-5-16(11)22)17-10-18(25-24-17)19(26)23-7-6-12-2-4-14(20)9-15(12)21/h2-5,8-10H,6-7H2,1H3,(H,23,26)(H,24,25)
InChIKeyYSHOCASASLCJAS-UHFFFAOYSA-N
XLogP4.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110307672
3-amino-N-[2-(2,4-dichlorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 64525006
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
CID 110416694
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110309072
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42660553
3-(4-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 45030562
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(2,4-dichlorophenyl)ethyl]-5,6-dimethylpyridine-3-carboxamide
CID 73388060
2-amino-N-[2-(2,4-dichlorophenyl)ethyl]-3,4-dimethyl-3H-pyrrole-5-carboxamide
CID 73388057
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 2713418
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42660564
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide (CID 110300163) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(-c2cc(C(=O)NCCc3ccc(Cl)cc3Cl)[nH]n2)ccc1F.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is YSHOCASASLCJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O/c1-11-8-13(3-5-16(11)22)17-10-18(25-24-17)19(26)23-7-6-12-2-4-14(20)9-15(12)21/h2-5,8-10H,6-7H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110300163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).