(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

C18H23N3O2 — CID 78873214

IUPAC(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCc1c(C(=O)N2CCOC(C)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-3-17-16(18(22)20-9-10-23-14(2)12-20)11-19-21(17)13-15-7-5-4-6-8-15/h4-8,11,14H,3,9-10,12-13H2,1-2H3
InChIKeyQJJXZPDQVDKXQZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.35
Rot. Bonds4

About (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone

(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 78873214) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID78873214
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCc1c(C(=O)N2CCOC(C)C2)cnn1Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-3-17-16(18(22)20-9-10-23-14(2)12-20)11-19-21(17)13-15-7-5-4-6-8-15/h4-8,11,14H,3,9-10,12-13H2,1-2H3
InChIKeyQJJXZPDQVDKXQZ-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610594
(1-benzyl-5-ethylpyrazol-4-yl)-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589891
[1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 78873697
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147
(1-benzyl-5-ethylpyrazol-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119637530
(3R,4R)-1-(1-benzyl-5-ethylpyrazole-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978605
(1-benzyl-5-ethylpyrazol-4-yl)-piperazin-1-ylmethanone
CID 119402258
2-[(2S)-4-(1-benzyl-5-methylpyrazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 124697770
1-(1-benzyl-5-ethylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 78874114
1-benzyl-5-ethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 78879060
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1-benzyl-5-ethylpyrazol-4-yl)methanone
CID 78873543
(1-benzyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 78874237

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone (CID 78873214) is (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone is CCc1c(C(=O)N2CCOC(C)C2)cnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is QJJXZPDQVDKXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-17-16(18(22)20-9-10-23-14(2)12-20)11-19-21(17)13-15-7-5-4-6-8-15/h4-8,11,14H,3,9-10,12-13H2,1-2H3.
What are the key properties of (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone?
(1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-ethylpyrazol-4-yl)-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 78873214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).