2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide

C12H10Cl2FN3O — CID 115609989

IUPAC2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1C
InChIInChI=1S/C12H10Cl2FN3O/c1-5-6(2)17-18-11(5)16-12(19)7-3-10(15)9(14)4-8(7)13/h3-4H,1-2H3,(H2,16,17,18,19)
InChIKeySAKLRIDWCOOYSA-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.72
Rot. Bonds2

About 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide

2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide (PubChem CID 115609989) has the molecular formula C12H10Cl2FN3O and a molecular weight of 302.14 g/mol. Its IUPAC name is 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
PubChem CID115609989
Molecular FormulaC12H10Cl2FN3O
Molecular Weight302.14 g/mol
Exact Mass301.02
IUPAC Name2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1C
InChIInChI=1S/C12H10Cl2FN3O/c1-5-6(2)17-18-11(5)16-12(19)7-3-10(15)9(14)4-8(7)13/h3-4H,1-2H3,(H2,16,17,18,19)
InChIKeySAKLRIDWCOOYSA-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
CID 112547954
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
N-(4-amino-5-methyl-1H-pyrazol-3-yl)-4-chloro-2,5-difluorobenzamide
CID 82781958
4,5-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 154805189
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115622239
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
2,3-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107191815
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344588
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide (CID 115609989) is 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide is Cc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2Cl)c1C.
What is the InChIKey of 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide?
The InChIKey is SAKLRIDWCOOYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3O/c1-5-6(2)17-18-11(5)16-12(19)7-3-10(15)9(14)4-8(7)13/h3-4H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide?
2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide has a molecular weight of 302.14 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-fluorobenzamide is sourced from PubChem (CID 115609989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).