phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate

C15H19N3O2 — CID 69410368

IUPACphenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
SMILESCCc1cc(NC(=O)Oc2ccccc2)n(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-4-12-10-14(18(17-12)11(2)3)16-15(19)20-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,16,19)
InChIKeyYNRFDCXAYFYIEJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.64
Rot. Bonds4

About phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate

phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate (PubChem CID 69410368) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
PubChem CID69410368
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namephenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
SMILESCCc1cc(NC(=O)Oc2ccccc2)n(C(C)C)n1
InChIInChI=1S/C15H19N3O2/c1-4-12-10-14(18(17-12)11(2)3)16-15(19)20-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,16,19)
InChIKeyYNRFDCXAYFYIEJ-UHFFFAOYSA-N
XLogP3.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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phenyl N-[3-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrazol-5-yl]carbamate
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phenyl 3-amino-1-propan-2-ylpyrazole-5-carboxylate
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phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
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phenyl N-(2-ethoxyphenyl)carbamate
CID 51345560
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
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phenyl N-(4-bromo-1-methylpyrazol-3-yl)carbamate
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phenyl N-[3-(2-hydroxy-2-methylpropoxy)-1-phenylpyrazol-5-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate (CID 69410368) is phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate is CCc1cc(NC(=O)Oc2ccccc2)n(C(C)C)n1.
What is the InChIKey of phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate?
The InChIKey is YNRFDCXAYFYIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-12-10-14(18(17-12)11(2)3)16-15(19)20-13-8-6-5-7-9-13/h5-11H,4H2,1-3H3,(H,16,19).
What are the key properties of phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate?
phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate has a molecular weight of 273.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate is sourced from PubChem (CID 69410368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).