tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate

C13H23N3O3 — CID 99801513

IUPACtert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
SMILESCn1nccc1C[C@@H](CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)14-8-10(9-17)7-11-5-6-15-16(11)4/h5-6,10,17H,7-9H2,1-4H3,(H,14,18)/t10-/m1/s1
InChIKeyZHCIDXZZLYTWGU-SNVBAGLBSA-N
MW269.34 g/mol
LogP1.10
Rot. Bonds5

About tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate

tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate (PubChem CID 99801513) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
PubChem CID99801513
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nametert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate
SMILESCn1nccc1C[C@@H](CO)CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)14-8-10(9-17)7-11-5-6-15-16(11)4/h5-6,10,17H,7-9H2,1-4H3,(H,14,18)/t10-/m1/s1
InChIKeyZHCIDXZZLYTWGU-SNVBAGLBSA-N
XLogP1.10
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)-3-(1-methyltriazol-4-yl)propyl]carbamate
CID 107053943
tert-butyl N-[2-cyclopentyl-2-[(2-methylpyrazol-3-yl)methylamino]ethyl]carbamate
CID 106834289
tert-butyl N-[2-(hydroxymethyl)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propyl]carbamate
CID 106508993
tert-butyl N-[2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508989
tert-butyl N-[2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508886
tert-butyl N-[2-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508909
tert-butyl N-[2-ethyl-2-[(2-methylpyrazol-3-yl)methylamino]butyl]carbamate
CID 103720598
tert-butyl N-[2-[(3-chloro-4-pyridinyl)methyl]-3-hydroxypropyl]carbamate
CID 106508919
tert-butyl N-[2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-hydroxypropyl]carbamate
CID 106508898
tert-butyl N-[2-[(2,6-dichlorophenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508926
tert-butyl N-[2-[[N-ethyl-N'-[(2-methylpyrazol-3-yl)methyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885646
tert-butyl N-[3-(2-methylpyrazol-3-yl)prop-2-enyl]carbamate
CID 169468518

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate (CID 99801513) is tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate is Cn1nccc1C[C@@H](CO)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate?
The InChIKey is ZHCIDXZZLYTWGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-13(2,3)19-12(18)14-8-10(9-17)7-11-5-6-15-16(11)4/h5-6,10,17H,7-9H2,1-4H3,(H,14,18)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate?
tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-(hydroxymethyl)-3-(2-methylpyrazol-3-yl)propyl]carbamate is sourced from PubChem (CID 99801513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).