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

C19H18F3N5O3 — CID 25073709

IUPACN-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(Cc2cccc(OC(F)(F)F)c2)cnc2c(C(=O)NCCC(N)=O)cnn12
InChIInChI=1S/C19H18F3N5O3/c1-11-13(7-12-3-2-4-14(8-12)30-19(20,21)22)9-25-17-15(10-26-27(11)17)18(29)24-6-5-16(23)28/h2-4,8-10H,5-7H2,1H3,(H2,23,28)(H,24,29)
InChIKeyWYJYCXUGFXYTHK-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.13
Rot. Bonds7

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

N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 25073709) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID25073709
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC NameN-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(Cc2cccc(OC(F)(F)F)c2)cnc2c(C(=O)NCCC(N)=O)cnn12
InChIInChI=1S/C19H18F3N5O3/c1-11-13(7-12-3-2-4-14(8-12)30-19(20,21)22)9-25-17-15(10-26-27(11)17)18(29)24-6-5-16(23)28/h2-4,8-10H,5-7H2,1H3,(H2,23,28)(H,24,29)
InChIKeyWYJYCXUGFXYTHK-UHFFFAOYSA-N
XLogP2.13
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 25073709) is N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(Cc2cccc(OC(F)(F)F)c2)cnc2c(C(=O)NCCC(N)=O)cnn12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WYJYCXUGFXYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-11-13(7-12-3-2-4-14(8-12)30-19(20,21)22)9-25-17-15(10-26-27(11)17)18(29)24-6-5-16(23)28/h2-4,8-10H,5-7H2,1H3,(H2,23,28)(H,24,29).
What are the key properties of N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-7-methyl-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 25073709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).