[5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C24H25F3N6O2 — CID 29255849

IUPAC[5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)N1CCN(CCO)CC1
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)19-4-2-1-3-17(19)20-7-8-28-23(30-20)33-21(16-5-6-16)18(15-29-33)22(35)32-11-9-31(10-12-32)13-14-34/h1-4,7-8,15-16,34H,5-6,9-14H2
InChIKeyYEQPLPHBQAHPMR-UHFFFAOYSA-N
MW486.50 g/mol
LogP2.98
Rot. Bonds6

About [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

[5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 29255849) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID29255849
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name[5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)N1CCN(CCO)CC1
InChIInChI=1S/C24H25F3N6O2/c25-24(26,27)19-4-2-1-3-17(19)20-7-8-28-23(30-20)33-21(16-5-6-16)18(15-29-33)22(35)32-11-9-31(10-12-32)13-14-34/h1-4,7-8,15-16,34H,5-6,9-14H2
InChIKeyYEQPLPHBQAHPMR-UHFFFAOYSA-N
XLogP2.98
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 29255849) is [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cnn(-c2nccc(-c3ccccc3C(F)(F)F)n2)c1C1CC1)N1CCN(CCO)CC1.
What is the InChIKey of [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is YEQPLPHBQAHPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c25-24(26,27)19-4-2-1-3-17(19)20-7-8-28-23(30-20)33-21(16-5-6-16)18(15-29-33)22(35)32-11-9-31(10-12-32)13-14-34/h1-4,7-8,15-16,34H,5-6,9-14H2.
What are the key properties of [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 486.50 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-[4-[2-(trifluoromethyl)phenyl]pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 29255849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).