1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone

C19H23F3N6O — CID 135374535

IUPAC1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3ncc(C(F)(F)F)c(C4CC4)n3)c(C)n2)CC1
InChIInChI=1S/C19H23F3N6O/c1-11-16(10-28(26-11)14-5-7-27(8-6-14)12(2)29)24-18-23-9-15(19(20,21)22)17(25-18)13-3-4-13/h9-10,13-14H,3-8H2,1-2H3,(H,23,24,25)
InChIKeyXLTFSPBCCNTIPU-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.80
Rot. Bonds4

About 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone

1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 135374535) has the molecular formula C19H23F3N6O and a molecular weight of 408.43 g/mol. Its IUPAC name is 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID135374535
Molecular FormulaC19H23F3N6O
Molecular Weight408.43 g/mol
Exact Mass408.19
IUPAC Name1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(n2cc(Nc3ncc(C(F)(F)F)c(C4CC4)n3)c(C)n2)CC1
InChIInChI=1S/C19H23F3N6O/c1-11-16(10-28(26-11)14-5-7-27(8-6-14)12(2)29)24-18-23-9-15(19(20,21)22)17(25-18)13-3-4-13/h9-10,13-14H,3-8H2,1-2H3,(H,23,24,25)
InChIKeyXLTFSPBCCNTIPU-UHFFFAOYSA-N
XLogP3.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone 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 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone (CID 135374535) is 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(n2cc(Nc3ncc(C(F)(F)F)c(C4CC4)n3)c(C)n2)CC1.
What is the InChIKey of 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is XLTFSPBCCNTIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O/c1-11-16(10-28(26-11)14-5-7-27(8-6-14)12(2)29)24-18-23-9-15(19(20,21)22)17(25-18)13-3-4-13/h9-10,13-14H,3-8H2,1-2H3,(H,23,24,25).
What are the key properties of 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone?
1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 408.43 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 135374535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).