2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

C15H18F3N5 — CID 95349873

IUPAC2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C15H18F3N5/c1-10-8-11(2)23(21-10)9-12-4-3-7-22(12)14-19-6-5-13(20-14)15(16,17)18/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyIQTKABKAUMBWSO-LBPRGKRZSA-N
MW325.34 g/mol
LogP2.98
Rot. Bonds3

About 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 95349873) has the molecular formula C15H18F3N5 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID95349873
Molecular FormulaC15H18F3N5
Molecular Weight325.34 g/mol
Exact Mass325.15
IUPAC Name2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C15H18F3N5/c1-10-8-11(2)23(21-10)9-12-4-3-7-22(12)14-19-6-5-13(20-14)15(16,17)18/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1
InChIKeyIQTKABKAUMBWSO-LBPRGKRZSA-N
XLogP2.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine 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 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 95349873) is 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is Cc1cc(C)n(C[C@@H]2CCCN2c2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is IQTKABKAUMBWSO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18F3N5/c1-10-8-11(2)23(21-10)9-12-4-3-7-22(12)14-19-6-5-13(20-14)15(16,17)18/h5-6,8,12H,3-4,7,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 325.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 95349873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).