2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate

C10H17N3O2 — CID 104620381

IUPAC2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
SMILESCCc1cc(NC(=O)OCC(C)C)n[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-8-5-9(13-12-8)11-10(14)15-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyBRNIKXVOMWKXTB-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.18
Rot. Bonds4

About 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate

2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate (PubChem CID 104620381) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
PubChem CID104620381
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
SMILESCCc1cc(NC(=O)OCC(C)C)n[nH]1
InChIInChI=1S/C10H17N3O2/c1-4-8-5-9(13-12-8)11-10(14)15-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyBRNIKXVOMWKXTB-UHFFFAOYSA-N
XLogP2.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl N-(5-ethyl-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

Related Compounds

(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
2-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethoxy]acetic acid
CID 104617294
3-(2,2-difluoroethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)propanamide
CID 103209298
(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104618040
N-(5-ethyl-1H-pyrazol-3-yl)-2-(2-methoxyethoxy)acetamide
CID 104619698
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385
2-methylpropyl N-pyridazin-3-ylcarbamate
CID 68882705
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylsulfanylpropanamide
CID 115593810
N-(5-ethyl-1H-pyrazol-3-yl)cyclopent-3-ene-1-carboxamide
CID 115644958
3-methyl-N-(5-propyl-1H-pyrazol-3-yl)butanamide
CID 115619770
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate (CID 104620381) is 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate is CCc1cc(NC(=O)OCC(C)C)n[nH]1.
What is the InChIKey of 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is BRNIKXVOMWKXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-8-5-9(13-12-8)11-10(14)15-6-7(2)3/h5,7H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate?
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 211.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 104620381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).