benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate

C14H17N3O2 — CID 130581119

IUPACbenzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
SMILESCC(C)n1nccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11(2)17-13(8-9-15-17)16-14(18)19-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyXBDQVDYXLBDWAJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.21
Rot. Bonds4

About benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate

benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate (PubChem CID 130581119) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
PubChem CID130581119
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namebenzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
SMILESCC(C)n1nccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H17N3O2/c1-11(2)17-13(8-9-15-17)16-14(18)19-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18)
InChIKeyXBDQVDYXLBDWAJ-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-benzylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 99841181
benzyl N-(4-bromo-1-methylpyrazol-5-yl)carbamate
CID 71265851
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate
CID 16619911
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
2-hydroxypropyl 2-(phenylmethoxycarbonylamino)acetate
CID 151400994

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
The IUPAC name of benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate (CID 130581119) is benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate.
What is the SMILES notation for benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
The canonical SMILES for benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate is CC(C)n1nccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
The InChIKey is XBDQVDYXLBDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11(2)17-13(8-9-15-17)16-14(18)19-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,16,18).
What are the key properties of benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate?
benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate has a molecular weight of 259.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-propan-2-ylpyrazol-3-yl)carbamate is sourced from PubChem (CID 130581119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).