benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate

C12H13N3O2 — CID 53438419

IUPACbenzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCc2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-14-9)13-12(16)17-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyRFTZNLAEQFIAGZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.47
Rot. Bonds3

About benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate

benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate (PubChem CID 53438419) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
PubChem CID53438419
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Namebenzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate
SMILESCc1cc(NC(=O)OCc2ccccc2)n[nH]1
InChIInChI=1S/C12H13N3O2/c1-9-7-11(15-14-9)13-12(16)17-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
InChIKeyRFTZNLAEQFIAGZ-UHFFFAOYSA-N
XLogP2.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate (CID 53438419) is benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate is Cc1cc(NC(=O)OCc2ccccc2)n[nH]1.
What is the InChIKey of benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is RFTZNLAEQFIAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-7-11(15-14-9)13-12(16)17-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16).
What are the key properties of benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate?
benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 231.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5-methyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 53438419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).