N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H24F3N5O4 — CID 24771403

IUPACN-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCC(=O)NCCO)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H24F3N5O4/c1-13-17(11-15-4-3-5-16(10-15)34-22(23,24)25)14(2)30-20(29-13)18(12-28-30)21(33)27-7-6-19(32)26-8-9-31/h3-5,10,12,31H,6-9,11H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyYNUFMRBGOJICGL-UHFFFAOYSA-N
MW479.46 g/mol
LogP2.06
Rot. Bonds9

About N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771403) has the molecular formula C22H24F3N5O4 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771403
Molecular FormulaC22H24F3N5O4
Molecular Weight479.46 g/mol
Exact Mass479.18
IUPAC NameN-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCC(=O)NCCO)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H24F3N5O4/c1-13-17(11-15-4-3-5-16(10-15)34-22(23,24)25)14(2)30-20(29-13)18(12-28-30)21(33)27-7-6-19(32)26-8-9-31/h3-5,10,12,31H,6-9,11H2,1-2H3,(H,26,32)(H,27,33)
InChIKeyYNUFMRBGOJICGL-UHFFFAOYSA-N
XLogP2.06
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771403) is N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCC(=O)NCCO)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YNUFMRBGOJICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O4/c1-13-17(11-15-4-3-5-16(10-15)34-22(23,24)25)14(2)30-20(29-13)18(12-28-30)21(33)27-7-6-19(32)26-8-9-31/h3-5,10,12,31H,6-9,11H2,1-2H3,(H,26,32)(H,27,33).
What are the key properties of N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 2.06, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethylamino)-3-oxopropyl]-5,7-dimethyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).