4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine

C18H24F3N5 — CID 56742279

IUPAC4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCCc1cn[nH]c1C1CCN(c2cc(C(C)C)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H24F3N5/c1-4-12-10-22-25-16(12)13-5-7-26(8-6-13)15-9-14(11(2)3)23-17(24-15)18(19,20)21/h9-11,13H,4-8H2,1-3H3,(H,22,25)
InChIKeyRFJLSYLBNLKYDP-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.29
Rot. Bonds4

About 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine

4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 56742279) has the molecular formula C18H24F3N5 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID56742279
Molecular FormulaC18H24F3N5
Molecular Weight367.42 g/mol
Exact Mass367.20
IUPAC Name4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCCc1cn[nH]c1C1CCN(c2cc(C(C)C)nc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H24F3N5/c1-4-12-10-22-25-16(12)13-5-7-26(8-6-13)15-9-14(11(2)3)23-17(24-15)18(19,20)21/h9-11,13H,4-8H2,1-3H3,(H,22,25)
InChIKeyRFJLSYLBNLKYDP-UHFFFAOYSA-N
XLogP4.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine (CID 56742279) is 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine is CCc1cn[nH]c1C1CCN(c2cc(C(C)C)nc(C(F)(F)F)n2)CC1.
What is the InChIKey of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is RFJLSYLBNLKYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5/c1-4-12-10-22-25-16(12)13-5-7-26(8-6-13)15-9-14(11(2)3)23-17(24-15)18(19,20)21/h9-11,13H,4-8H2,1-3H3,(H,22,25).
What are the key properties of 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine?
4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 367.42 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-propan-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 56742279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).