tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate

C26H36N4O5 — CID 18423585

IUPACtert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate
SMILESCC(C(=O)Nc1cc(C2CCC2)nn1C(=O)OC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H36N4O5/c1-16(17-11-13-19(14-12-17)27-23(32)34-25(2,3)4)22(31)28-21-15-20(18-9-8-10-18)29-30(21)24(33)35-26(5,6)7/h11-16,18H,8-10H2,1-7H3,(H,27,32)(H,28,31)
InChIKeyJYFQARLVOSPRKQ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.02
Rot. Bonds5

About tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate

tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate (PubChem CID 18423585) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate
PubChem CID18423585
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Nametert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate
SMILESCC(C(=O)Nc1cc(C2CCC2)nn1C(=O)OC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H36N4O5/c1-16(17-11-13-19(14-12-17)27-23(32)34-25(2,3)4)22(31)28-21-15-20(18-9-8-10-18)29-30(21)24(33)35-26(5,6)7/h11-16,18H,8-10H2,1-7H3,(H,27,32)(H,28,31)
InChIKeyJYFQARLVOSPRKQ-UHFFFAOYSA-N
XLogP6.02
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate with MolForge

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Related Compounds

tert-butyl 5-[2-(4-bromophenyl)propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 139558779
2-chloroethyl 5-[2-[4-(2-chloroethoxycarbonylamino)phenyl]propanoylamino]-3-cyclopropylpyrazole-1-carboxylate
CID 12043816
tert-butyl 3-cyclopropyl-5-(phenoxycarbonylamino)pyrazole-1-carboxylate
CID 59394708
tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
CID 18423587
tert-butyl 3-[2-(4-cyanophenyl)propanoylamino]-5-cyclopropylpyrazole-1-carboxylate
CID 155703043
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
tert-butyl 4-[4-[1-[[5-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]phenyl]piperazine-1-carboxylate
CID 139558808
tert-butyl N-[4-[1-(cyclopentylmethylamino)ethyl]phenyl]carbamate
CID 107253394
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
CID 11356513
tert-butyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]piperidine-1-carboxylate
CID 23366945
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[4-[1-[(3-methoxycyclobutyl)amino]ethyl]phenyl]carbamate
CID 107253415

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate (CID 18423585) is tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate is CC(C(=O)Nc1cc(C2CCC2)nn1C(=O)OC(C)(C)C)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate?
The InChIKey is JYFQARLVOSPRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-16(17-11-13-19(14-12-17)27-23(32)34-25(2,3)4)22(31)28-21-15-20(18-9-8-10-18)29-30(21)24(33)35-26(5,6)7/h11-16,18H,8-10H2,1-7H3,(H,27,32)(H,28,31).
What are the key properties of tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate?
tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate has a molecular weight of 484.60 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclobutyl-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoylamino]pyrazole-1-carboxylate is sourced from PubChem (CID 18423585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).