[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate

C24H37N3O3 — CID 44589918

IUPAC[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)cc1
InChIInChI=1S/C24H37N3O3/c1-8-13-29-20-11-9-19(10-12-20)25-24(28)30-23(18(6)7)15-27-22(17(4)5)14-21(26-27)16(2)3/h9-12,14,16-18,23H,8,13,15H2,1-7H3,(H,25,28)/t23-/m0/s1
InChIKeyHYXQNSCOGRVOCW-QHCPKHFHSA-N
MW415.58 g/mol
LogP6.19
Rot. Bonds10

About [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate (PubChem CID 44589918) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate.

Molecular Properties

Compound Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate
PubChem CID44589918
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate
SMILESCCCOc1ccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)cc1
InChIInChI=1S/C24H37N3O3/c1-8-13-29-20-11-9-19(10-12-20)25-24(28)30-23(18(6)7)15-27-22(17(4)5)14-21(26-27)16(2)3/h9-12,14,16-18,23H,8,13,15H2,1-7H3,(H,25,28)/t23-/m0/s1
InChIKeyHYXQNSCOGRVOCW-QHCPKHFHSA-N
XLogP6.19
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate?
The IUPAC name of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate (CID 44589918) is [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate.
What is the SMILES notation for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate?
The canonical SMILES for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate is CCCOc1ccc(NC(=O)O[C@@H](Cn2nc(C(C)C)cc2C(C)C)C(C)C)cc1.
What is the InChIKey of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate?
The InChIKey is HYXQNSCOGRVOCW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-8-13-29-20-11-9-19(10-12-20)25-24(28)30-23(18(6)7)15-27-22(17(4)5)14-21(26-27)16(2)3/h9-12,14,16-18,23H,8,13,15H2,1-7H3,(H,25,28)/t23-/m0/s1.
What are the key properties of [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate?
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate has a molecular weight of 415.58 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-propoxyphenyl)carbamate is sourced from PubChem (CID 44589918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).