benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate

C20H27N3O3 — CID 164880400

IUPACbenzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate
SMILESCC(C)(C)n1nc(NC(=O)OCc2ccccc2)cc1[C@H]1CC[C@H](O)C1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)23-17(15-9-10-16(24)11-15)12-18(22-23)21-19(25)26-13-14-7-5-4-6-8-14/h4-8,12,15-16,24H,9-11,13H2,1-3H3,(H,21,22,25)/t15-,16-/m0/s1
InChIKeyGRLDKEOCBZFGED-HOTGVXAUSA-N
MW357.45 g/mol
LogP4.02
Rot. Bonds4

About benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate

benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate (PubChem CID 164880400) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate
PubChem CID164880400
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namebenzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate
SMILESCC(C)(C)n1nc(NC(=O)OCc2ccccc2)cc1[C@H]1CC[C@H](O)C1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)23-17(15-9-10-16(24)11-15)12-18(22-23)21-19(25)26-13-14-7-5-4-6-8-14/h4-8,12,15-16,24H,9-11,13H2,1-3H3,(H,21,22,25)/t15-,16-/m0/s1
InChIKeyGRLDKEOCBZFGED-HOTGVXAUSA-N
XLogP4.02
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[1-tert-butyl-3-[(1S,3R,4R)-3-hydroxy-4-methylcyclopentyl]pyrazol-5-yl]carbamate
CID 169142417
[3-[1-tert-butyl-5-(phenylmethoxycarbonylamino)pyrazol-3-yl]cyclopentyl] methanesulfonate
CID 170451325
benzyl N-benzyl-N-[1-tert-butyl-3-[(1S,3R)-3-hydroxycyclopentyl]pyrazol-5-yl]carbamate
CID 177305912
benzyl N-[1-tert-butyl-3-[(1R,3R)-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)cyclopentyl]pyrazol-5-yl]carbamate
CID 164880088
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
CID 118413200
benzyl N-[5-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-1H-pyrazol-3-yl]carbamate
CID 176998560
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
benzyl N-(7-cyclopropyl-2-methylindazol-3-yl)carbamate
CID 175556452
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate?
The IUPAC name of benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate (CID 164880400) is benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate.
What is the SMILES notation for benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate?
The canonical SMILES for benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate is CC(C)(C)n1nc(NC(=O)OCc2ccccc2)cc1[C@H]1CC[C@H](O)C1.
What is the InChIKey of benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate?
The InChIKey is GRLDKEOCBZFGED-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(2,3)23-17(15-9-10-16(24)11-15)12-18(22-23)21-19(25)26-13-14-7-5-4-6-8-14/h4-8,12,15-16,24H,9-11,13H2,1-3H3,(H,21,22,25)/t15-,16-/m0/s1.
What are the key properties of benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate?
benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate has a molecular weight of 357.45 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-tert-butyl-5-[(1S,3S)-3-hydroxycyclopentyl]pyrazol-3-yl]carbamate is sourced from PubChem (CID 164880400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).