[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

C20H27N3O4 — CID 9380725

IUPAC[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C20H27N3O4/c1-15(2)11-22-9-10-26-17(12-22)14-27-20(24)19-18(25-3)13-23(21-19)16-7-5-4-6-8-16/h4-8,13,15,17H,9-12,14H2,1-3H3/t17-/m0/s1
InChIKeyICKNUCCECSFPKF-KRWDZBQOSA-N
MW373.45 g/mol
LogP2.39
Rot. Bonds7

About [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 9380725) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID9380725
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C20H27N3O4/c1-15(2)11-22-9-10-26-17(12-22)14-27-20(24)19-18(25-3)13-23(21-19)16-7-5-4-6-8-16/h4-8,13,15,17H,9-12,14H2,1-3H3/t17-/m0/s1
InChIKeyICKNUCCECSFPKF-KRWDZBQOSA-N
XLogP2.39
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate with MolForge

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Related Compounds

[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
[4-(2-methylpropyl)morpholin-2-yl]methyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 78825962
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703402
[4-(2-methylpropyl)morpholin-2-yl]methyl (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 78831837
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523412
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 51862939
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-phenylimidazole-4-carboxamide
CID 47013454
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992134

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 9380725) is [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1CN(CC(C)C)CCO1.
What is the InChIKey of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is ICKNUCCECSFPKF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-15(2)11-22-9-10-26-17(12-22)14-27-20(24)19-18(25-3)13-23(21-19)16-7-5-4-6-8-16/h4-8,13,15,17H,9-12,14H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 9380725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).