benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate

C15H19N3O4 — CID 171855323

IUPACbenzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
SMILESCn1cc(C(O)C(O)CNC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C15H19N3O4/c1-18-9-12(7-17-18)14(20)13(19)8-16-15(21)22-10-11-5-3-2-4-6-11/h2-7,9,13-14,19-20H,8,10H2,1H3,(H,16,21)
InChIKeyYLGJEBHEBYCHCN-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.74
Rot. Bonds6

About benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate (PubChem CID 171855323) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
PubChem CID171855323
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
SMILESCn1cc(C(O)C(O)CNC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C15H19N3O4/c1-18-9-12(7-17-18)14(20)13(19)8-16-15(21)22-10-11-5-3-2-4-6-11/h2-7,9,13-14,19-20H,8,10H2,1H3,(H,16,21)
InChIKeyYLGJEBHEBYCHCN-UHFFFAOYSA-N
XLogP0.74
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2,3-dihydroxy-3-[1-(2-methylphenyl)pyrazol-4-yl]propyl]carbamate
CID 171857301
benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171855435
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[2,3-dihydroxy-3-(1-methylindol-3-yl)propyl]carbamate
CID 171857330
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[2,3-dihydroxy-3-(4-pyrazol-1-ylphenyl)propyl]carbamate
CID 171856680
benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate
CID 171857292
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate (CID 171855323) is benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate is Cn1cc(C(O)C(O)CNC(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate?
The InChIKey is YLGJEBHEBYCHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-18-9-12(7-17-18)14(20)13(19)8-16-15(21)22-10-11-5-3-2-4-6-11/h2-7,9,13-14,19-20H,8,10H2,1H3,(H,16,21).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate has a molecular weight of 305.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate is sourced from PubChem (CID 171855323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).