N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H18F3N5O2 — CID 50975439

IUPACN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)cc2n1
InChIInChI=1S/C15H18F3N5O2/c1-8-3-12(15(16,17)18)23-13(19-8)5-11(21-23)14(25)20-9-4-10(7-24)22(2)6-9/h3,5,9-10,24H,4,6-7H2,1-2H3,(H,20,25)/t9-,10+/m1/s1
InChIKeyLVFHWWMUBCMRAS-ZJUUUORDSA-N
MW357.34 g/mol
LogP0.85
Rot. Bonds3

About N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 50975439) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID50975439
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC NameN-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)n2nc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)cc2n1
InChIInChI=1S/C15H18F3N5O2/c1-8-3-12(15(16,17)18)23-13(19-8)5-11(21-23)14(25)20-9-4-10(7-24)22(2)6-9/h3,5,9-10,24H,4,6-7H2,1-2H3,(H,20,25)/t9-,10+/m1/s1
InChIKeyLVFHWWMUBCMRAS-ZJUUUORDSA-N
XLogP0.85
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 50975439) is N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)n2nc(C(=O)N[C@@H]3C[C@@H](CO)N(C)C3)cc2n1.
What is the InChIKey of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LVFHWWMUBCMRAS-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-8-3-12(15(16,17)18)23-13(19-8)5-11(21-23)14(25)20-9-4-10(7-24)22(2)6-9/h3,5,9-10,24H,4,6-7H2,1-2H3,(H,20,25)/t9-,10+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 50975439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).