2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide

C22H19ClF4N6O2 — CID 129283658

IUPAC2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide
SMILESCc1c(OC(F)(F)C(C)F)nn(C)c1-n1cc(-c2cc(F)c(Cl)c(C(=O)NC3(C#N)CC3)c2)cn1
InChIInChI=1S/C22H19ClF4N6O2/c1-11-19(35-22(26,27)12(2)24)31-32(3)20(11)33-9-14(8-29-33)13-6-15(17(23)16(25)7-13)18(34)30-21(10-28)4-5-21/h6-9,12H,4-5H2,1-3H3,(H,30,34)
InChIKeyZIIVGVRBRRQWKO-UHFFFAOYSA-N
MW510.88 g/mol
LogP4.49
Rot. Bonds7

About 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide

2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide (PubChem CID 129283658) has the molecular formula C22H19ClF4N6O2 and a molecular weight of 510.88 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide
PubChem CID129283658
Molecular FormulaC22H19ClF4N6O2
Molecular Weight510.88 g/mol
Exact Mass510.12
IUPAC Name2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide
SMILESCc1c(OC(F)(F)C(C)F)nn(C)c1-n1cc(-c2cc(F)c(Cl)c(C(=O)NC3(C#N)CC3)c2)cn1
InChIInChI=1S/C22H19ClF4N6O2/c1-11-19(35-22(26,27)12(2)24)31-32(3)20(11)33-9-14(8-29-33)13-6-15(17(23)16(25)7-13)18(34)30-21(10-28)4-5-21/h6-9,12H,4-5H2,1-3H3,(H,30,34)
InChIKeyZIIVGVRBRRQWKO-UHFFFAOYSA-N
XLogP4.49
TPSA97.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.88
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide 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

2,3-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129305898
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(1,1,2,2-tetrafluoroethoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129306014
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[3-[1,1,2,4,4,4-hexafluoro-3-(trifluoromethyl)but-2-enoxy]-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283534
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-(5,6,6-trifluorohexoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 137419629
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1-methyl-3-[2-(trifluoromethoxy)ethoxy]-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]benzamide
CID 129283575
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[4-(difluoromethylsulfanyl)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]pyridine-3-carboxamide
CID 145352465
2-chloro-N-(1-cyanocyclopropyl)-4-fluoro-5-[1-[1-methyl-3-(1,1,3,3,3-pentafluoro-2-methylpropoxy)-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide
CID 129306331
2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide
CID 129305917
5-[1-[3-(2-bromo-2-chloro-1,1-difluoroethoxy)-1,4-dimethylpyrazol-5-yl]pyrazol-4-yl]-2-chloro-N-cyclopropylbenzamide
CID 129283668
5-[1-[3-bromo-5-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrrol-2-yl]pyrazol-4-yl]-2-chloro-N-(1-cyanocyclopropyl)benzamide
CID 155410667
2-chloro-N-(1-cyanocyclopropyl)-5-[3-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-1,2-oxazol-5-yl]thiophene-3-carboxamide
CID 142448843
N-cyclopropyl-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]-2-methylbenzamide
CID 129306071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide (CID 129283658) is 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide is Cc1c(OC(F)(F)C(C)F)nn(C)c1-n1cc(-c2cc(F)c(Cl)c(C(=O)NC3(C#N)CC3)c2)cn1.
What is the InChIKey of 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide?
The InChIKey is ZIIVGVRBRRQWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF4N6O2/c1-11-19(35-22(26,27)12(2)24)31-32(3)20(11)33-9-14(8-29-33)13-6-15(17(23)16(25)7-13)18(34)30-21(10-28)4-5-21/h6-9,12H,4-5H2,1-3H3,(H,30,34).
What are the key properties of 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide?
2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide has a molecular weight of 510.88 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanocyclopropyl)-5-[1-[1,4-dimethyl-3-(1,1,2-trifluoropropoxy)pyrazol-5-yl]pyrazol-4-yl]-3-fluorobenzamide is sourced from PubChem (CID 129283658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).