phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate

C13H15N3O2 — CID 21136422

IUPACphenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate
SMILESCCCc1cc(NC(=O)Oc2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O2/c1-2-6-10-9-12(16-15-10)14-13(17)18-11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyBGGGCKCITYPTJA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.97
Rot. Bonds4

About phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate

phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate (PubChem CID 21136422) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate
PubChem CID21136422
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namephenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate
SMILESCCCc1cc(NC(=O)Oc2ccccc2)n[nH]1
InChIInChI=1S/C13H15N3O2/c1-2-6-10-9-12(16-15-10)14-13(17)18-11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3,(H2,14,15,16,17)
InChIKeyBGGGCKCITYPTJA-UHFFFAOYSA-N
XLogP2.97
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate (CID 21136422) is phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate is CCCc1cc(NC(=O)Oc2ccccc2)n[nH]1.
What is the InChIKey of phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is BGGGCKCITYPTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-6-10-9-12(16-15-10)14-13(17)18-11-7-4-3-5-8-11/h3-5,7-9H,2,6H2,1H3,(H2,14,15,16,17).
What are the key properties of phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate?
phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 245.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5-propyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 21136422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).