N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H24F3N7O — CID 19449285

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)nc2ccccc21
InChIInChI=1S/C22H24F3N7O/c1-4-30(5-2)10-11-31-17-9-7-6-8-15(17)27-21(31)28-20(33)16-13-19-26-14(3)12-18(22(23,24)25)32(19)29-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28,33)
InChIKeyFSMSWTHCNMKEKG-UHFFFAOYSA-N
MW459.48 g/mol
LogP4.00
Rot. Bonds7

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19449285) has the molecular formula C22H24F3N7O and a molecular weight of 459.48 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19449285
Molecular FormulaC22H24F3N7O
Molecular Weight459.48 g/mol
Exact Mass459.20
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)nc2ccccc21
InChIInChI=1S/C22H24F3N7O/c1-4-30(5-2)10-11-31-17-9-7-6-8-15(17)27-21(31)28-20(33)16-13-19-26-14(3)12-18(22(23,24)25)32(19)29-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28,33)
InChIKeyFSMSWTHCNMKEKG-UHFFFAOYSA-N
XLogP4.00
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453582
5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453852
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17020632
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
5-acetamido-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-fluorobenzamide
CID 60567449
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 19520547

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19449285) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)CCn1c(NC(=O)c2cc3nc(C)cc(C(F)(F)F)n3n2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FSMSWTHCNMKEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N7O/c1-4-30(5-2)10-11-31-17-9-7-6-8-15(17)27-21(31)28-20(33)16-13-19-26-14(3)12-18(22(23,24)25)32(19)29-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,27,28,33).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 459.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19449285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).