N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide

C29H25F3N4O2 — CID 66964170

IUPACN-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCN(Cc1ccco1)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C29H25F3N4O2/c1-28(17-20-7-4-3-5-8-20,27(37)35(2)19-23-9-6-16-38-23)25-14-15-33-26-24(18-34-36(25)26)21-10-12-22(13-11-21)29(30,31)32/h3-16,18H,17,19H2,1-2H3
InChIKeyJUFMAFHXUXAYBP-UHFFFAOYSA-N
MW518.54 g/mol
LogP6.17
Rot. Bonds7

About N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide

N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide (PubChem CID 66964170) has the molecular formula C29H25F3N4O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
PubChem CID66964170
Molecular FormulaC29H25F3N4O2
Molecular Weight518.54 g/mol
Exact Mass518.19
IUPAC NameN-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
SMILESCN(Cc1ccco1)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
InChIInChI=1S/C29H25F3N4O2/c1-28(17-20-7-4-3-5-8-20,27(37)35(2)19-23-9-6-16-38-23)25-14-15-33-26-24(18-34-36(25)26)21-10-12-22(13-11-21)29(30,31)32/h3-16,18H,17,19H2,1-2H3
InChIKeyJUFMAFHXUXAYBP-UHFFFAOYSA-N
XLogP6.17
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide (CID 66964170) is N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide is CN(Cc1ccco1)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?
The InChIKey is JUFMAFHXUXAYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O2/c1-28(17-20-7-4-3-5-8-20,27(37)35(2)19-23-9-6-16-38-23)25-14-15-33-26-24(18-34-36(25)26)21-10-12-22(13-11-21)29(30,31)32/h3-16,18H,17,19H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?
N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide has a molecular weight of 518.54 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 66964170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).