4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine

C18H22F3N5O — CID 75475427

IUPAC4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
SMILESCc1nn(CC(F)(F)F)c(C)c1C1COCCN1c1ccnc(C2CC2)n1
InChIInChI=1S/C18H22F3N5O/c1-11-16(12(2)26(24-11)10-18(19,20)21)14-9-27-8-7-25(14)15-5-6-22-17(23-15)13-3-4-13/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeyYGQQWNGTLVSDCI-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.31
Rot. Bonds4

About 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine

4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine (PubChem CID 75475427) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
PubChem CID75475427
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine
SMILESCc1nn(CC(F)(F)F)c(C)c1C1COCCN1c1ccnc(C2CC2)n1
InChIInChI=1S/C18H22F3N5O/c1-11-16(12(2)26(24-11)10-18(19,20)21)14-9-27-8-7-25(14)15-5-6-22-17(23-15)13-3-4-13/h5-6,13-14H,3-4,7-10H2,1-2H3
InChIKeyYGQQWNGTLVSDCI-UHFFFAOYSA-N
XLogP3.31
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The IUPAC name of 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine (CID 75475427) is 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine.
What is the SMILES notation for 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The canonical SMILES for 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine is Cc1nn(CC(F)(F)F)c(C)c1C1COCCN1c1ccnc(C2CC2)n1.
What is the InChIKey of 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
The InChIKey is YGQQWNGTLVSDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-11-16(12(2)26(24-11)10-18(19,20)21)14-9-27-8-7-25(14)15-5-6-22-17(23-15)13-3-4-13/h5-6,13-14H,3-4,7-10H2,1-2H3.
What are the key properties of 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine?
4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine has a molecular weight of 381.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpyrimidin-4-yl)-3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine is sourced from PubChem (CID 75475427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).