[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone

C16H19N3O2 — CID 118741515

IUPAC[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-15(12(2)18-17-11)14-10-21-9-8-19(14)16(20)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,17,18)
InChIKeyAWJWETKZLDSZBM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.24
Rot. Bonds2

About [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone

[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone (PubChem CID 118741515) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone
PubChem CID118741515
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone
SMILESCc1n[nH]c(C)c1C1COCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11-15(12(2)18-17-11)14-10-21-9-8-19(14)16(20)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,17,18)
InChIKeyAWJWETKZLDSZBM-UHFFFAOYSA-N
XLogP2.24
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone?
The IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone (CID 118741515) is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone is Cc1n[nH]c(C)c1C1COCCN1C(=O)c1ccccc1.
What is the InChIKey of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone?
The InChIKey is AWJWETKZLDSZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-15(12(2)18-17-11)14-10-21-9-8-19(14)16(20)13-6-4-3-5-7-13/h3-7,14H,8-10H2,1-2H3,(H,17,18).
What are the key properties of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone?
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone has a molecular weight of 285.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 118741515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).