[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate

C18H22N4O4 — CID 170071001

IUPAC[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccccc3)n[nH]2)C1
InChIInChI=1S/C18H22N4O4/c1-11(2)19-18(24)26-13-8-15(25-10-13)14-9-16(22-21-14)20-17(23)12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3,(H,19,24)(H2,20,21,22,23)/t13-,15-/m0/s1
InChIKeyCUTKMYCAEQVSBC-ZFWWWQNUSA-N
MW358.40 g/mol
LogP2.63
Rot. Bonds5

About [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate

[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate (PubChem CID 170071001) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate
PubChem CID170071001
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccccc3)n[nH]2)C1
InChIInChI=1S/C18H22N4O4/c1-11(2)19-18(24)26-13-8-15(25-10-13)14-9-16(22-21-14)20-17(23)12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3,(H,19,24)(H2,20,21,22,23)/t13-,15-/m0/s1
InChIKeyCUTKMYCAEQVSBC-ZFWWWQNUSA-N
XLogP2.63
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-5-[3-[(2-methylfuran-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170071171
[(3S,5S)-5-[3-[[3-(difluoromethyl)-1-methylpyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170071152
[(3S,5S)-5-[3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070997
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070922
[(3S,5S)-5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 171719062
[(3R,5R)-5-[3-[(2-methylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)carbamate
CID 170071239
[(3S,5S)-5-[3-[[(3R)-3-anilinopyrrolidine-1-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 169142792
[(1S,3R)-3-[3-[(2-propylpyrazole-3-carbonyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170952374
[(3S,5S)-5-[3-[[1-methyl-3-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrazole-5-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 169141470
[(3S,5S)-5-[3-[[(1S,2S)-2-ethynylcyclopropanecarbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclobutyl)carbamate
CID 170071305
[(3R,5R)-5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 174240395
[5-[3-[[2-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 174240398

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate?
The IUPAC name of [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate (CID 170071001) is [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate?
The canonical SMILES for [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate is CC(C)NC(=O)O[C@@H]1CO[C@H](c2cc(NC(=O)c3ccccc3)n[nH]2)C1.
What is the InChIKey of [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate?
The InChIKey is CUTKMYCAEQVSBC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11(2)19-18(24)26-13-8-15(25-10-13)14-9-16(22-21-14)20-17(23)12-6-4-3-5-7-12/h3-7,9,11,13,15H,8,10H2,1-2H3,(H,19,24)(H2,20,21,22,23)/t13-,15-/m0/s1.
What are the key properties of [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate?
[(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate has a molecular weight of 358.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-(3-benzamido-1H-pyrazol-5-yl)oxolan-3-yl] N-propan-2-ylcarbamate is sourced from PubChem (CID 170071001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).