methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate

C23H37N5O4 — CID 118313193

IUPACmethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1C(C)(C)CC2
InChIInChI=1S/C23H37N5O4/c1-15(28(16-6-7-16)21(29)18-14-24-11-13-32-18)19-17-8-9-23(2,3)20(17)27(26-19)12-5-10-25-22(30)31-4/h15-16,18,24H,5-14H2,1-4H3,(H,25,30)/t15-,18-/m1/s1
InChIKeyFMGXLPFTAUMIRL-CRAIPNDOSA-N
MW447.58 g/mol
LogP1.89
Rot. Bonds8

About methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate (PubChem CID 118313193) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate
PubChem CID118313193
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1C(C)(C)CC2
InChIInChI=1S/C23H37N5O4/c1-15(28(16-6-7-16)21(29)18-14-24-11-13-32-18)19-17-8-9-23(2,3)20(17)27(26-19)12-5-10-25-22(30)31-4/h15-16,18,24H,5-14H2,1-4H3,(H,25,30)/t15-,18-/m1/s1
InChIKeyFMGXLPFTAUMIRL-CRAIPNDOSA-N
XLogP1.89
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate (CID 118313193) is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c2c1C(C)(C)CC2.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate?
The InChIKey is FMGXLPFTAUMIRL-CRAIPNDOSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-15(28(16-6-7-16)21(29)18-14-24-11-13-32-18)19-17-8-9-23(2,3)20(17)27(26-19)12-5-10-25-22(30)31-4/h15-16,18,24H,5-14H2,1-4H3,(H,25,30)/t15-,18-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate has a molecular weight of 447.58 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).