N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide

C19H26N4O2 — CID 75504911

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-14-19(15(2)22-21-14)20-18(24)13-23-10-11-25-17(12-23)9-8-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyPFEGWOPMULVCRH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.30
Rot. Bonds6

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide (PubChem CID 75504911) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
PubChem CID75504911
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-14-19(15(2)22-21-14)20-18(24)13-23-10-11-25-17(12-23)9-8-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyPFEGWOPMULVCRH-UHFFFAOYSA-N
XLogP2.30
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide (CID 75504911) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)CN1CCOC(CCc2ccccc2)C1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide?
The InChIKey is PFEGWOPMULVCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-19(15(2)22-21-14)20-18(24)13-23-10-11-25-17(12-23)9-8-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(2-phenylethyl)morpholin-4-yl]acetamide is sourced from PubChem (CID 75504911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).