[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

C19H28N4O4 — CID 170075539

IUPAC[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC4CCC3O4)n[nH]2)C1
InChIInChI=1S/C19H28N4O4/c1-10(2)20-19(25)27-12-4-3-11(7-12)15-9-17(23-22-15)21-18(24)14-8-13-5-6-16(14)26-13/h9-14,16H,3-8H2,1-2H3,(H,20,25)(H2,21,22,23,24)/t11-,12+,13?,14?,16?/m0/s1
InChIKeyJXTFDYRSRURRIH-NELRMQFWSA-N
MW376.46 g/mol
LogP2.69
Rot. Bonds5

About [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 170075539) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID170075539
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC4CCC3O4)n[nH]2)C1
InChIInChI=1S/C19H28N4O4/c1-10(2)20-19(25)27-12-4-3-11(7-12)15-9-17(23-22-15)21-18(24)14-8-13-5-6-16(14)26-13/h9-14,16H,3-8H2,1-2H3,(H,20,25)(H2,21,22,23,24)/t11-,12+,13?,14?,16?/m0/s1
InChIKeyJXTFDYRSRURRIH-NELRMQFWSA-N
XLogP2.69
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 177372983
[(1R,3S)-3-[3-[[(1S,2S)-2-acetylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-(1-methylcyclobutyl)carbamate
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[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623417
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[3-[3-[(1-methylsulfonylpiperidin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[3-[3-(4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-([1,3]thiazolo[5,4-c]pyridin-4-ylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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[(1R,3S)-3-[3-[(2,2-dioxo-1,3-dihydrothieno[3,4-c]pyridin-4-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623720
[(1R,3S)-3-[3-[[(3S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170070934
[(1S,3R)-3-[3-[(5-dimethylphosphoryl-2-pyridinyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 170075539) is [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CC[C@H](c2cc(NC(=O)C3CC4CCC3O4)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is JXTFDYRSRURRIH-NELRMQFWSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-10(2)20-19(25)27-12-4-3-11(7-12)15-9-17(23-22-15)21-18(24)14-8-13-5-6-16(14)26-13/h9-14,16H,3-8H2,1-2H3,(H,20,25)(H2,21,22,23,24)/t11-,12+,13?,14?,16?/m0/s1.
What are the key properties of [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 376.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-(7-oxabicyclo[2.2.1]heptane-2-carbonylamino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170075539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).