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

C13H15N3O2 — CID 59394412

IUPACphenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
SMILESCC(C)n1ccc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c1-10(2)16-9-8-12(15-16)14-13(17)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,15,17)
InChIKeyWRAODQHLKQLNNE-UHFFFAOYSA-N
MW245.28 g/mol
LogP3.07
Rot. Bonds3

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

phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate (PubChem CID 59394412) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
PubChem CID59394412
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namephenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
SMILESCC(C)n1ccc(NC(=O)Oc2ccccc2)n1
InChIInChI=1S/C13H15N3O2/c1-10(2)16-9-8-12(15-16)14-13(17)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,15,17)
InChIKeyWRAODQHLKQLNNE-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
phenyl N-(5-methyl-1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394007
phenyl N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]carbamate
CID 164836120
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
(2S)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 114251131
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
phenyl N-(3-ethyl-1-propan-2-ylpyrazol-5-yl)carbamate
CID 69410368
3-amino-2,2,3-trimethyl-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 114252199
(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
CID 114251144
4,6-dimethylpyrimidin-2-amine;1-(4,6-dimethylpyrimidin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)sulfonylurea;phenyl N-(4,6-dimethylpyrimidin-2-yl)carbamate;1-propan-2-ylpyrazole-3-sulfonamide
CID 159357622
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110

Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate?
The IUPAC name of phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate (CID 59394412) is phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate is CC(C)n1ccc(NC(=O)Oc2ccccc2)n1.
What is the InChIKey of phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate?
The InChIKey is WRAODQHLKQLNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-10(2)16-9-8-12(15-16)14-13(17)18-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,14,15,17).
What are the key properties of phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate?
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate has a molecular weight of 245.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate is sourced from PubChem (CID 59394412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).