[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate

C20H23FN4O4 — CID 68519422

IUPAC[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccccc1F)OC1CC(c2cc(NC(=O)C3CCCO3)n[nH]2)C1
InChIInChI=1S/C20H23FN4O4/c21-15-5-2-1-4-12(15)11-22-20(27)29-14-8-13(9-14)16-10-18(25-24-16)23-19(26)17-6-3-7-28-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,22,27)(H2,23,24,25,26)
InChIKeyOCAQSLLJAPKZHQ-UHFFFAOYSA-N
MW402.43 g/mol
LogP2.84
Rot. Bonds6

About [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate

[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate (PubChem CID 68519422) has the molecular formula C20H23FN4O4 and a molecular weight of 402.43 g/mol. Its IUPAC name is [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
PubChem CID68519422
Molecular FormulaC20H23FN4O4
Molecular Weight402.43 g/mol
Exact Mass402.17
IUPAC Name[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccccc1F)OC1CC(c2cc(NC(=O)C3CCCO3)n[nH]2)C1
InChIInChI=1S/C20H23FN4O4/c21-15-5-2-1-4-12(15)11-22-20(27)29-14-8-13(9-14)16-10-18(25-24-16)23-19(26)17-6-3-7-28-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,22,27)(H2,23,24,25,26)
InChIKeyOCAQSLLJAPKZHQ-UHFFFAOYSA-N
XLogP2.84
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R,3S)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 168296883
(2S)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635351
[3-[3-[(1-methylcyclohexanecarbonyl)amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
CID 11236187
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate
CID 11292559
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 11304796
[3-[3-(2-methylpropanoylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,6-difluorophenyl)methyl]carbamate
CID 11440749
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 68520439
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 68520445
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 68520798
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[[2-(trifluoromethyl)phenyl]methyl]carbamate
CID 68520801
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(2-chloro-6-fluorophenyl)methyl]carbamate
CID 68521619
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-chloro-6-fluorophenyl)methyl]carbamate
CID 68521625

Frequently Asked Questions

What is the IUPAC name of [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?
The IUPAC name of [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate (CID 68519422) is [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate.
What is the SMILES notation for [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?
The canonical SMILES for [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate is O=C(NCc1ccccc1F)OC1CC(c2cc(NC(=O)C3CCCO3)n[nH]2)C1.
What is the InChIKey of [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?
The InChIKey is OCAQSLLJAPKZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O4/c21-15-5-2-1-4-12(15)11-22-20(27)29-14-8-13(9-14)16-10-18(25-24-16)23-19(26)17-6-3-7-28-17/h1-2,4-5,10,13-14,17H,3,6-9,11H2,(H,22,27)(H2,23,24,25,26).
What are the key properties of [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate?
[3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate has a molecular weight of 402.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(oxolane-2-carbonylamino)-1H-pyrazol-5-yl]cyclobutyl] N-[(2-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 68519422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).