N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide

C19H15F3N4O — CID 157037390

IUPACN,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c1nn(C)cc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N4O/c1-23-18(27)11-3-8-15-14(9-11)17-16(10-25(2)24-17)26(15)13-6-4-12(5-7-13)19(20,21)22/h3-10H,1-2H3,(H,23,27)
InChIKeyPULCOQOKWZTPMW-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.90
Rot. Bonds2

About N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide

N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide (PubChem CID 157037390) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
PubChem CID157037390
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c1nn(C)cc1n2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H15F3N4O/c1-23-18(27)11-3-8-15-14(9-11)17-16(10-25(2)24-17)26(15)13-6-4-12(5-7-13)19(20,21)22/h3-10H,1-2H3,(H,23,27)
InChIKeyPULCOQOKWZTPMW-UHFFFAOYSA-N
XLogP3.90
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
The IUPAC name of N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide (CID 157037390) is N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
The canonical SMILES for N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide is CNC(=O)c1ccc2c(c1)c1nn(C)cc1n2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
The InChIKey is PULCOQOKWZTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-23-18(27)11-3-8-15-14(9-11)17-16(10-25(2)24-17)26(15)13-6-4-12(5-7-13)19(20,21)22/h3-10H,1-2H3,(H,23,27).
What are the key properties of N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide?
N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-b]indole-7-carboxamide is sourced from PubChem (CID 157037390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).