benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate

C15H20N4O4 — CID 171855435

IUPACbenzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
SMILESCn1ncc(C(O)C(O)CNC(=O)OCc2ccccc2)c1N
InChIInChI=1S/C15H20N4O4/c1-19-14(16)11(7-18-19)13(21)12(20)8-17-15(22)23-9-10-5-3-2-4-6-10/h2-7,12-13,20-21H,8-9,16H2,1H3,(H,17,22)
InChIKeyXYTJIQFCTDVYGB-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.32
Rot. Bonds6

About benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855435) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855435
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Namebenzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
SMILESCn1ncc(C(O)C(O)CNC(=O)OCc2ccccc2)c1N
InChIInChI=1S/C15H20N4O4/c1-19-14(16)11(7-18-19)13(21)12(20)8-17-15(22)23-9-10-5-3-2-4-6-10/h2-7,12-13,20-21H,8-9,16H2,1H3,(H,17,22)
InChIKeyXYTJIQFCTDVYGB-UHFFFAOYSA-N
XLogP0.32
TPSA122.63 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate
CID 171857292
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 171855323
benzyl N-[2,3-dihydroxy-3-(1-methylindol-3-yl)propyl]carbamate
CID 171857330
benzyl N-[3-(1-aminoisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856679
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(2-amino-5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171857015
benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855969
benzyl N-[3-(1-chloroisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856690
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[3-(2-chloro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855641
benzyl N-[2,3-dihydroxy-3-(2-methylsulfonylphenyl)propyl]carbamate
CID 171856199

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate (CID 171855435) is benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate is Cn1ncc(C(O)C(O)CNC(=O)OCc2ccccc2)c1N.
What is the InChIKey of benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is XYTJIQFCTDVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-19-14(16)11(7-18-19)13(21)12(20)8-17-15(22)23-9-10-5-3-2-4-6-10/h2-7,12-13,20-21H,8-9,16H2,1H3,(H,17,22).
What are the key properties of benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 320.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).