N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine

C13H16F3N5 — CID 83185167

IUPACN-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-n2cc(C(F)(F)F)cn2)ncc1CNC(C)C
InChIInChI=1S/C13H16F3N5/c1-8(2)17-4-10-5-18-12(20-9(10)3)21-7-11(6-19-21)13(14,15)16/h5-8,17H,4H2,1-3H3
InChIKeyWGFFJQPCKSSSBU-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.49
Rot. Bonds4

About N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine (PubChem CID 83185167) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
PubChem CID83185167
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine
SMILESCc1nc(-n2cc(C(F)(F)F)cn2)ncc1CNC(C)C
InChIInChI=1S/C13H16F3N5/c1-8(2)17-4-10-5-18-12(20-9(10)3)21-7-11(6-19-21)13(14,15)16/h5-8,17H,4H2,1-3H3
InChIKeyWGFFJQPCKSSSBU-UHFFFAOYSA-N
XLogP2.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine 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-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine (CID 83185167) is N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine is Cc1nc(-n2cc(C(F)(F)F)cn2)ncc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
The InChIKey is WGFFJQPCKSSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-8(2)17-4-10-5-18-12(20-9(10)3)21-7-11(6-19-21)13(14,15)16/h5-8,17H,4H2,1-3H3.
What are the key properties of N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 83185167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).