N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

C16H20F3N5 — CID 44824558

IUPACN-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c(C)n1
InChIInChI=1S/C16H20F3N5/c1-3-24-9-12(10(2)23-24)13-8-14(16(17,18)19)22-15(21-13)20-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyMOCPFCKFPUOYON-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.04
Rot. Bonds4

About N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine

N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 44824558) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID44824558
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC NameN-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c(C)n1
InChIInChI=1S/C16H20F3N5/c1-3-24-9-12(10(2)23-24)13-8-14(16(17,18)19)22-15(21-13)20-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyMOCPFCKFPUOYON-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-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-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 44824558) is N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is CCn1cc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)c(C)n1.
What is the InChIKey of N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MOCPFCKFPUOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-3-24-9-12(10(2)23-24)13-8-14(16(17,18)19)22-15(21-13)20-11-6-4-5-7-11/h8-9,11H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 339.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(1-ethyl-3-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 44824558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).