benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate

C18H25N3O4 — CID 171857292

IUPACbenzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate
SMILESCCCn1ncc(C(O)C(O)CNC(=O)OCc2ccccc2)c1C
InChIInChI=1S/C18H25N3O4/c1-3-9-21-13(2)15(10-20-21)17(23)16(22)11-19-18(24)25-12-14-7-5-4-6-8-14/h4-8,10,16-17,22-23H,3,9,11-12H2,1-2H3,(H,19,24)
InChIKeyYFDMLUJWSOXIJA-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.92
Rot. Bonds8

About benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate (PubChem CID 171857292) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate
PubChem CID171857292
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate
SMILESCCCn1ncc(C(O)C(O)CNC(=O)OCc2ccccc2)c1C
InChIInChI=1S/C18H25N3O4/c1-3-9-21-13(2)15(10-20-21)17(23)16(22)11-19-18(24)25-12-14-7-5-4-6-8-14/h4-8,10,16-17,22-23H,3,9,11-12H2,1-2H3,(H,19,24)
InChIKeyYFDMLUJWSOXIJA-UHFFFAOYSA-N
XLogP1.92
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171855435
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
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-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(2-chloro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855641
benzyl N-[3-(1-aminoisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856679
ethyl 4-[3-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 171857313
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
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-methylbenzoic acid
CID 171856230
benzyl N-[2,3-dihydroxy-3-[1-(2-methylphenyl)pyrazol-4-yl]propyl]carbamate
CID 171857301

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate (CID 171857292) is benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate is CCCn1ncc(C(O)C(O)CNC(=O)OCc2ccccc2)c1C.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate?
The InChIKey is YFDMLUJWSOXIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-9-21-13(2)15(10-20-21)17(23)16(22)11-19-18(24)25-12-14-7-5-4-6-8-14/h4-8,10,16-17,22-23H,3,9,11-12H2,1-2H3,(H,19,24).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 1.92, 8 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-(5-methyl-1-propylpyrazol-4-yl)propyl]carbamate is sourced from PubChem (CID 171857292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).