1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

C15H9F6N5O — CID 19286548

IUPAC1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccn(C(F)F)n1
InChIInChI=1S/C15H9F6N5O/c16-8-5-9(17)13(19)7(12(8)18)6-25-3-2-11(24-25)22-14(27)10-1-4-26(23-10)15(20)21/h1-5,15H,6H2,(H,22,24,27)
InChIKeyGAOYJLYNKJSEDP-UHFFFAOYSA-N
MW389.26 g/mol
LogP3.33
Rot. Bonds5

About 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19286548) has the molecular formula C15H9F6N5O and a molecular weight of 389.26 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
PubChem CID19286548
Molecular FormulaC15H9F6N5O
Molecular Weight389.26 g/mol
Exact Mass389.07
IUPAC Name1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccn(C(F)F)n1
InChIInChI=1S/C15H9F6N5O/c16-8-5-9(17)13(19)7(12(8)18)6-25-3-2-11(24-25)22-14(27)10-1-4-26(23-10)15(20)21/h1-5,15H,6H2,(H,22,24,27)
InChIKeyGAOYJLYNKJSEDP-UHFFFAOYSA-N
XLogP3.33
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
2-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286661
4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286615
3,5-dinitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286430
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19286588
3-nitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286417
4-(difluoromethoxy)-3-ethoxy-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286564
5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19286635
N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]cyclohexanecarboxamide
CID 19286658
2-(4-bromopyrazol-1-yl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286595
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
N-[1-[(2,3,6-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 68643541

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19286548) is 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is GAOYJLYNKJSEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O/c16-8-5-9(17)13(19)7(12(8)18)6-25-3-2-11(24-25)22-14(27)10-1-4-26(23-10)15(20)21/h1-5,15H,6H2,(H,22,24,27).
What are the key properties of 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide?
1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 389.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19286548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).