benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate

C13H15N3O2 — CID 123492885

IUPACbenzyl N-(1,4-dimethylpyrazol-5-yl)carbamate
SMILESCc1cnn(C)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10-8-14-16(2)12(10)15-13(17)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyIBEPAYWKGQIJEX-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.48
Rot. Bonds3

About benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate

benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate (PubChem CID 123492885) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,4-dimethylpyrazol-5-yl)carbamate
PubChem CID123492885
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namebenzyl N-(1,4-dimethylpyrazol-5-yl)carbamate
SMILESCc1cnn(C)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H15N3O2/c1-10-8-14-16(2)12(10)15-13(17)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyIBEPAYWKGQIJEX-UHFFFAOYSA-N
XLogP2.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate?
The IUPAC name of benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate (CID 123492885) is benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate.
What is the SMILES notation for benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate?
The canonical SMILES for benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate is Cc1cnn(C)c1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate?
The InChIKey is IBEPAYWKGQIJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10-8-14-16(2)12(10)15-13(17)18-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate?
benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate has a molecular weight of 245.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,4-dimethylpyrazol-5-yl)carbamate is sourced from PubChem (CID 123492885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).