tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate

C19H26N4O3 — CID 126672095

IUPACtert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccn(Cc3ccccc3)n2)C[C@H]1O
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-15-12-22(13-16(15)24)17-9-10-23(21-17)11-14-7-5-4-6-8-14/h4-10,15-16,24H,11-13H2,1-3H3,(H,20,25)/t15?,16-/m1/s1
InChIKeyFDTRWVYTDFGWIF-OEMAIJDKSA-N
MW358.44 g/mol
LogP2.01
Rot. Bonds4

About tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate

tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate (PubChem CID 126672095) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
PubChem CID126672095
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Nametert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CN(c2ccn(Cc3ccccc3)n2)C[C@H]1O
InChIInChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-15-12-22(13-16(15)24)17-9-10-23(21-17)11-14-7-5-4-6-8-14/h4-10,15-16,24H,11-13H2,1-3H3,(H,20,25)/t15?,16-/m1/s1
InChIKeyFDTRWVYTDFGWIF-OEMAIJDKSA-N
XLogP2.01
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3S,4S)-1-benzyl-4-(4-chlorobutanoylamino)pyrrolidin-3-yl]carbamate
CID 91155685
tert-butyl N-[1-benzyl-4-(4-bromobutanoylamino)pyrrolidin-3-yl]carbamate
CID 67133715
benzyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 59254368
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-[(3R,4S,6R)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 95242142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate (CID 126672095) is tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CN(c2ccn(Cc3ccccc3)n2)C[C@H]1O.
What is the InChIKey of tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate?
The InChIKey is FDTRWVYTDFGWIF-OEMAIJDKSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-19(2,3)26-18(25)20-15-12-22(13-16(15)24)17-9-10-23(21-17)11-14-7-5-4-6-8-14/h4-10,15-16,24H,11-13H2,1-3H3,(H,20,25)/t15?,16-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate?
tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate has a molecular weight of 358.44 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate is sourced from PubChem (CID 126672095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).