2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide

C23H25ClN4O2 — CID 86902376

IUPAC2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)N3CCOC(c4ccccc4Cl)C3)c2)n1
InChIInChI=1S/C23H25ClN4O2/c1-16-12-17(2)28(26-16)14-18-6-5-7-19(13-18)25-23(29)27-10-11-30-22(15-27)20-8-3-4-9-21(20)24/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,25,29)
InChIKeyULVXWXCLROVNMO-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.81
Rot. Bonds4

About 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide

2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide (PubChem CID 86902376) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide
PubChem CID86902376
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)N3CCOC(c4ccccc4Cl)C3)c2)n1
InChIInChI=1S/C23H25ClN4O2/c1-16-12-17(2)28(26-16)14-18-6-5-7-19(13-18)25-23(29)27-10-11-30-22(15-27)20-8-3-4-9-21(20)24/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,25,29)
InChIKeyULVXWXCLROVNMO-UHFFFAOYSA-N
XLogP4.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]morpholine-4-carboxamide
CID 86889836
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 86902398
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 86902355
(2S)-4-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]morpholine-2-carboxylic acid
CID 95891521
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 95617250
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902460
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide (CID 86902376) is 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)N3CCOC(c4ccccc4Cl)C3)c2)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide?
The InChIKey is ULVXWXCLROVNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-12-17(2)28(26-16)14-18-6-5-7-19(13-18)25-23(29)27-10-11-30-22(15-27)20-8-3-4-9-21(20)24/h3-9,12-13,22H,10-11,14-15H2,1-2H3,(H,25,29).
What are the key properties of 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide?
2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 86902376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).