N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H18F3N5O — CID 164633631

IUPACN-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1cc2nccc(C(F)(F)F)n2n1)N(C)C1CC1
InChIInChI=1S/C15H18F3N5O/c1-9(22(2)10-3-4-10)8-20-14(24)11-7-13-19-6-5-12(15(16,17)18)23(13)21-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,24)/t9-/m0/s1
InChIKeyNWPWUOHDABXMSA-VIFPVBQESA-N
MW341.34 g/mol
LogP1.96
Rot. Bonds5

About N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 164633631) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID164633631
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESC[C@@H](CNC(=O)c1cc2nccc(C(F)(F)F)n2n1)N(C)C1CC1
InChIInChI=1S/C15H18F3N5O/c1-9(22(2)10-3-4-10)8-20-14(24)11-7-13-19-6-5-12(15(16,17)18)23(13)21-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,24)/t9-/m0/s1
InChIKeyNWPWUOHDABXMSA-VIFPVBQESA-N
XLogP1.96
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 164633631) is N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is C[C@@H](CNC(=O)c1cc2nccc(C(F)(F)F)n2n1)N(C)C1CC1.
What is the InChIKey of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NWPWUOHDABXMSA-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9(22(2)10-3-4-10)8-20-14(24)11-7-13-19-6-5-12(15(16,17)18)23(13)21-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,20,24)/t9-/m0/s1.
What are the key properties of N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 341.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 164633631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).