1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one

C19H25N3O2 — CID 75470411

IUPAC1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCOCC1c1c(C)n[nH]c1C
InChIInChI=1S/C19H25N3O2/c1-13-6-4-5-7-16(13)8-9-18(23)22-10-11-24-12-17(22)19-14(2)20-21-15(19)3/h4-7,17H,8-12H2,1-3H3,(H,20,21)
InChIKeyJGIMJDYWEFCPJP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one

1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one (PubChem CID 75470411) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
PubChem CID75470411
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1CCC(=O)N1CCOCC1c1c(C)n[nH]c1C
InChIInChI=1S/C19H25N3O2/c1-13-6-4-5-7-16(13)8-9-18(23)22-10-11-24-12-17(22)19-14(2)20-21-15(19)3/h4-7,17H,8-12H2,1-3H3,(H,20,21)
InChIKeyJGIMJDYWEFCPJP-UHFFFAOYSA-N
XLogP2.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one?
The IUPAC name of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one (CID 75470411) is 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one?
The canonical SMILES for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one is Cc1ccccc1CCC(=O)N1CCOCC1c1c(C)n[nH]c1C.
What is the InChIKey of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one?
The InChIKey is JGIMJDYWEFCPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-6-4-5-7-16(13)8-9-18(23)22-10-11-24-12-17(22)19-14(2)20-21-15(19)3/h4-7,17H,8-12H2,1-3H3,(H,20,21).
What are the key properties of 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one?
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 75470411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).