(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide

C19H26N4O2 — CID 126441433

IUPAC(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-14-17(15(2)22-21-14)9-6-10-20-19(24)23-11-12-25-18(13-23)16-7-4-3-5-8-16/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,20,24)(H,21,22)/t18-/m0/s1
InChIKeyOUVBLOQFHFOQIP-SFHVURJKSA-N
MW342.44 g/mol
LogP2.74
Rot. Bonds5

About (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide

(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide (PubChem CID 126441433) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
PubChem CID126441433
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
SMILESCc1n[nH]c(C)c1CCCNC(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-14-17(15(2)22-21-14)9-6-10-20-19(24)23-11-12-25-18(13-23)16-7-4-3-5-8-16/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,20,24)(H,21,22)/t18-/m0/s1
InChIKeyOUVBLOQFHFOQIP-SFHVURJKSA-N
XLogP2.74
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 75432430
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 121497433
(2R)-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-phenylmorpholine-4-carboxamide
CID 126430853
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 146086488
(2S)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402914
(2R)-2-phenyl-N-(2-thiophen-3-ylethyl)morpholine-4-carboxamide
CID 129402913
(2R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 97067531
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide (CID 126441433) is (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide is Cc1n[nH]c(C)c1CCCNC(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is OUVBLOQFHFOQIP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-17(15(2)22-21-14)9-6-10-20-19(24)23-11-12-25-18(13-23)16-7-4-3-5-8-16/h3-5,7-8,18H,6,9-13H2,1-2H3,(H,20,24)(H,21,22)/t18-/m0/s1.
What are the key properties of (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide?
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 126441433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).