ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate

C11H17N3O2 — CID 71808536

IUPACethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate
SMILESCCOC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)12-7-9-6-10(8-4-5-8)14(2)13-9/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyPTPPHRMSIMZMBL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.54
Rot. Bonds4

About ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate

ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate (PubChem CID 71808536) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate
PubChem CID71808536
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nameethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate
SMILESCCOC(=O)NCc1cc(C2CC2)n(C)n1
InChIInChI=1S/C11H17N3O2/c1-3-16-11(15)12-7-9-6-10(8-4-5-8)14(2)13-9/h6,8H,3-5,7H2,1-2H3,(H,12,15)
InChIKeyPTPPHRMSIMZMBL-UHFFFAOYSA-N
XLogP1.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-cyclohexylcarbamate
CID 44589815
(3-cyclopropyl-1-methyl-1H-pyrazol-5-yl)methanamine
CID 33781805
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 71808534
N-((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)cyclobutanecarboxamide
CID 71808537
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 71808540
N-((1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl)propionamide
CID 71808660
N-[(1-cyclopentyl-5-cyclopropyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808666
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propylacetamide
CID 4116900
(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methanamine
CID 33781822
tert-butyl ((1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)methyl)carbamate
CID 75175985
N-[(5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 71808539

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate?
The IUPAC name of ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate (CID 71808536) is ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate.
What is the SMILES notation for ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate?
The canonical SMILES for ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate is CCOC(=O)NCc1cc(C2CC2)n(C)n1.
What is the InChIKey of ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate?
The InChIKey is PTPPHRMSIMZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-16-11(15)12-7-9-6-10(8-4-5-8)14(2)13-9/h6,8H,3-5,7H2,1-2H3,(H,12,15).
What are the key properties of ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate?
ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate has a molecular weight of 223.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]carbamate is sourced from PubChem (CID 71808536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).