[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

C19H25F3N6O2 — CID 86905460

IUPAC[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)c3cnn(C(C)C)c3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H25F3N6O2/c1-5-30-15-10-13(4)24-18(25-15)27-8-6-26(7-9-27)17(29)14-11-23-28(12(2)3)16(14)19(20,21)22/h10-12H,5-9H2,1-4H3
InChIKeyFSPYCGGFIXVYEK-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.94
Rot. Bonds5

About [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 86905460) has the molecular formula C19H25F3N6O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID86905460
Molecular FormulaC19H25F3N6O2
Molecular Weight426.44 g/mol
Exact Mass426.20
IUPAC Name[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCCOc1cc(C)nc(N2CCN(C(=O)c3cnn(C(C)C)c3C(F)(F)F)CC2)n1
InChIInChI=1S/C19H25F3N6O2/c1-5-30-15-10-13(4)24-18(25-15)27-8-6-26(7-9-27)17(29)14-11-23-28(12(2)3)16(14)19(20,21)22/h10-12H,5-9H2,1-4H3
InChIKeyFSPYCGGFIXVYEK-UHFFFAOYSA-N
XLogP2.94
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone (CID 86905460) is [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone is CCOc1cc(C)nc(N2CCN(C(=O)c3cnn(C(C)C)c3C(F)(F)F)CC2)n1.
What is the InChIKey of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is FSPYCGGFIXVYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O2/c1-5-30-15-10-13(4)24-18(25-15)27-8-6-26(7-9-27)17(29)14-11-23-28(12(2)3)16(14)19(20,21)22/h10-12H,5-9H2,1-4H3.
What are the key properties of [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 426.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 86905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).