[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate

C23H30N4O4 — CID 68523419

IUPAC[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CNC(=O)OC2CC(c3cc(NC(=O)[C@H]4CCCO4)n[nH]3)C2)cc1
InChIInChI=1S/C23H30N4O4/c1-14(2)16-7-5-15(6-8-16)13-24-23(29)31-18-10-17(11-18)19-12-21(27-26-19)25-22(28)20-4-3-9-30-20/h5-8,12,14,17-18,20H,3-4,9-11,13H2,1-2H3,(H,24,29)(H2,25,26,27,28)/t17?,18?,20-/m1/s1
InChIKeyIIMIARRJMWOPPH-AFMYVXGZSA-N
MW426.52 g/mol
LogP3.82
Rot. Bonds7

About [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate

[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate (PubChem CID 68523419) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate
PubChem CID68523419
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate
SMILESCC(C)c1ccc(CNC(=O)OC2CC(c3cc(NC(=O)[C@H]4CCCO4)n[nH]3)C2)cc1
InChIInChI=1S/C23H30N4O4/c1-14(2)16-7-5-15(6-8-16)13-24-23(29)31-18-10-17(11-18)19-12-21(27-26-19)25-22(28)20-4-3-9-30-20/h5-8,12,14,17-18,20H,3-4,9-11,13H2,1-2H3,(H,24,29)(H2,25,26,27,28)/t17?,18?,20-/m1/s1
InChIKeyIIMIARRJMWOPPH-AFMYVXGZSA-N
XLogP3.82
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate?
The IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate (CID 68523419) is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate.
What is the SMILES notation for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate?
The canonical SMILES for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate is CC(C)c1ccc(CNC(=O)OC2CC(c3cc(NC(=O)[C@H]4CCCO4)n[nH]3)C2)cc1.
What is the InChIKey of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate?
The InChIKey is IIMIARRJMWOPPH-AFMYVXGZSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-14(2)16-7-5-15(6-8-16)13-24-23(29)31-18-10-17(11-18)19-12-21(27-26-19)25-22(28)20-4-3-9-30-20/h5-8,12,14,17-18,20H,3-4,9-11,13H2,1-2H3,(H,24,29)(H2,25,26,27,28)/t17?,18?,20-/m1/s1.
What are the key properties of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate?
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate is sourced from PubChem (CID 68523419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).