[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone

C21H29N3O2 — CID 56863689

IUPAC[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCOC(CCCc3ccccc3)C2)n[nH]1
InChIInChI=1S/C21H29N3O2/c1-16(2)13-18-14-20(23-22-18)21(25)24-11-12-26-19(15-24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,14,16,19H,6,9-13,15H2,1-2H3,(H,22,23)
InChIKeyHJLVINNIJNJXBS-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.47
Rot. Bonds7

About [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone

[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone (PubChem CID 56863689) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone
PubChem CID56863689
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCOC(CCCc3ccccc3)C2)n[nH]1
InChIInChI=1S/C21H29N3O2/c1-16(2)13-18-14-20(23-22-18)21(25)24-11-12-26-19(15-24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,14,16,19H,6,9-13,15H2,1-2H3,(H,22,23)
InChIKeyHJLVINNIJNJXBS-UHFFFAOYSA-N
XLogP3.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone with MolForge

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Related Compounds

(5-ethyl-1,3-oxazol-4-yl)-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 42392703
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)morpholin-2-yl]acetic acid
CID 66421759
3-[(2S)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552345
3-[(2R)-2-(3-phenylpropyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 95552344
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95551102
3-(3-amino-1H-1,2,4-triazol-5-yl)-1-[2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 56865446
1-[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42241699
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
methyl 4-oxo-4-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]butanoate
CID 25379116

Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone (CID 56863689) is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone is CC(C)Cc1cc(C(=O)N2CCOC(CCCc3ccccc3)C2)n[nH]1.
What is the InChIKey of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The InChIKey is HJLVINNIJNJXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16(2)13-18-14-20(23-22-18)21(25)24-11-12-26-19(15-24)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,14,16,19H,6,9-13,15H2,1-2H3,(H,22,23).
What are the key properties of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(3-phenylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56863689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).