N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H17F3N4O — CID 77086526

IUPACN,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)N(C)C/C=C/c3ccccc3)c2n1
InChIInChI=1S/C19H17F3N4O/c1-13-11-16(19(20,21)22)26-17(24-13)15(12-23-26)18(27)25(2)10-6-9-14-7-4-3-5-8-14/h3-9,11-12H,10H2,1-2H3/b9-6+
InChIKeyVWCZYXQQLJTBEK-RMKNXTFCSA-N
MW374.37 g/mol
LogP3.84
Rot. Bonds4

About N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 77086526) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID77086526
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC NameN,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)N(C)C/C=C/c3ccccc3)c2n1
InChIInChI=1S/C19H17F3N4O/c1-13-11-16(19(20,21)22)26-17(24-13)15(12-23-26)18(27)25(2)10-6-9-14-7-4-3-5-8-14/h3-9,11-12H,10H2,1-2H3/b9-6+
InChIKeyVWCZYXQQLJTBEK-RMKNXTFCSA-N
XLogP3.84
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 77086526) is N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)(F)F)n2ncc(C(=O)N(C)C/C=C/c3ccccc3)c2n1.
What is the InChIKey of N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VWCZYXQQLJTBEK-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-13-11-16(19(20,21)22)26-17(24-13)15(12-23-26)18(27)25(2)10-6-9-14-7-4-3-5-8-14/h3-9,11-12H,10H2,1-2H3/b9-6+.
What are the key properties of N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 77086526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).