4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine

C16H18F3N3O — CID 126816240

IUPAC4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cn[nH]c1CN1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H18F3N3O/c1-11-8-20-21-14(11)9-22-6-7-23-15(10-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8,15H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUCXDTLVHONKVGD-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.31
Rot. Bonds3

About 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine

4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine (PubChem CID 126816240) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine
PubChem CID126816240
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC Name4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine
SMILESCc1cn[nH]c1CN1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C16H18F3N3O/c1-11-8-20-21-14(11)9-22-6-7-23-15(10-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8,15H,6-7,9-10H2,1H3,(H,20,21)
InChIKeyUCXDTLVHONKVGD-UHFFFAOYSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine (CID 126816240) is 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine is Cc1cn[nH]c1CN1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
The InChIKey is UCXDTLVHONKVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c1-11-8-20-21-14(11)9-22-6-7-23-15(10-22)12-2-4-13(5-3-12)16(17,18)19/h2-5,8,15H,6-7,9-10H2,1H3,(H,20,21).
What are the key properties of 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine?
4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine has a molecular weight of 325.33 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[4-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 126816240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).