4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide

C12H10ClF2N3O — CID 112547954

IUPAC4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1C
InChIInChI=1S/C12H10ClF2N3O/c1-5-6(2)17-18-11(5)16-12(19)7-3-10(15)8(13)4-9(7)14/h3-4H,1-2H3,(H2,16,17,18,19)
InChIKeyBGVNTWRCBXOOBJ-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide

4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide (PubChem CID 112547954) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
PubChem CID112547954
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC Name4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide
SMILESCc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1C
InChIInChI=1S/C12H10ClF2N3O/c1-5-6(2)17-18-11(5)16-12(19)7-3-10(15)8(13)4-9(7)14/h3-4H,1-2H3,(H2,16,17,18,19)
InChIKeyBGVNTWRCBXOOBJ-UHFFFAOYSA-N
XLogP3.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide?
The IUPAC name of 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide (CID 112547954) is 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide.
What is the SMILES notation for 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide?
The canonical SMILES for 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide is Cc1[nH]nc(NC(=O)c2cc(F)c(Cl)cc2F)c1C.
What is the InChIKey of 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide?
The InChIKey is BGVNTWRCBXOOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c1-5-6(2)17-18-11(5)16-12(19)7-3-10(15)8(13)4-9(7)14/h3-4H,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide?
4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide has a molecular weight of 285.68 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-difluorobenzamide is sourced from PubChem (CID 112547954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).