methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate

C24H32FN5O4 — CID 118313137

IUPACmethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H32FN5O4/c1-16(30(19-8-9-19)23(31)22-15-26-11-13-34-22)20-14-21(17-4-6-18(25)7-5-17)29(28-20)12-3-10-27-24(32)33-2/h4-7,14,16,19,22,26H,3,8-13,15H2,1-2H3,(H,27,32)/t16-,22-/m1/s1
InChIKeyAOXATRCWAPPNOD-OPAMFIHVSA-N
MW473.55 g/mol
LogP2.48
Rot. Bonds9

About methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate (PubChem CID 118313137) has the molecular formula C24H32FN5O4 and a molecular weight of 473.55 g/mol. Its IUPAC name is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
PubChem CID118313137
Molecular FormulaC24H32FN5O4
Molecular Weight473.55 g/mol
Exact Mass473.24
IUPAC Namemethyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate
SMILESCOC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C24H32FN5O4/c1-16(30(19-8-9-19)23(31)22-15-26-11-13-34-22)20-14-21(17-4-6-18(25)7-5-17)29(28-20)12-3-10-27-24(32)33-2/h4-7,14,16,19,22,26H,3,8-13,15H2,1-2H3,(H,27,32)/t16-,22-/m1/s1
InChIKeyAOXATRCWAPPNOD-OPAMFIHVSA-N
XLogP2.48
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.48
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]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
The IUPAC name of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate (CID 118313137) is methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
The canonical SMILES for methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate is COC(=O)NCCCn1nc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)cc1-c1ccc(F)cc1.
What is the InChIKey of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
The InChIKey is AOXATRCWAPPNOD-OPAMFIHVSA-N. The full InChI is InChI=1S/C24H32FN5O4/c1-16(30(19-8-9-19)23(31)22-15-26-11-13-34-22)20-14-21(17-4-6-18(25)7-5-17)29(28-20)12-3-10-27-24(32)33-2/h4-7,14,16,19,22,26H,3,8-13,15H2,1-2H3,(H,27,32)/t16-,22-/m1/s1.
What are the key properties of methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate?
methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate has a molecular weight of 473.55 g/mol, XLogP of 2.48, 9 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]-5-(4-fluorophenyl)pyrazol-1-yl]propyl]carbamate is sourced from PubChem (CID 118313137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).