N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H19F3N4O3 — CID 121361615

IUPACN-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)cnn2c1
InChIInChI=1S/C19H19F3N4O3/c1-11-8-23-16-14(9-24-26(16)10-11)17(27)25-15(18(2,3)28)12-4-6-13(7-5-12)29-19(20,21)22/h4-10,15,28H,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyNPARLOLYJZFLKX-HNNXBMFYSA-N
MW408.38 g/mol
LogP3.18
Rot. Bonds5

About N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 121361615) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID121361615
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC NameN-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cnc2c(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)cnn2c1
InChIInChI=1S/C19H19F3N4O3/c1-11-8-23-16-14(9-24-26(16)10-11)17(27)25-15(18(2,3)28)12-4-6-13(7-5-12)29-19(20,21)22/h4-10,15,28H,1-3H3,(H,25,27)/t15-/m0/s1
InChIKeyNPARLOLYJZFLKX-HNNXBMFYSA-N
XLogP3.18
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 121361615) is N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cnc2c(C(=O)N[C@@H](c3ccc(OC(F)(F)F)cc3)C(C)(C)O)cnn2c1.
What is the InChIKey of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NPARLOLYJZFLKX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c1-11-8-23-16-14(9-24-26(16)10-11)17(27)25-15(18(2,3)28)12-4-6-13(7-5-12)29-19(20,21)22/h4-10,15,28H,1-3H3,(H,25,27)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121361615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).