2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate

C11H19N3O2 — CID 155404223

IUPAC2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate
SMILESCC(C)C(C)COC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)9(3)7-16-11(15)13-10-5-12-14(4)6-10/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyNFYYIISBFJWTCV-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.26
Rot. Bonds4

About 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate

2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate (PubChem CID 155404223) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Name2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate
PubChem CID155404223
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate
SMILESCC(C)C(C)COC(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H19N3O2/c1-8(2)9(3)7-16-11(15)13-10-5-12-14(4)6-10/h5-6,8-9H,7H2,1-4H3,(H,13,15)
InChIKeyNFYYIISBFJWTCV-UHFFFAOYSA-N
XLogP2.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethylbutyl N-(1-methylpyrazol-4-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

ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
[(2R)-2,3-dimethylbutyl] N-(4-methylphenyl)carbamate;molecular hydrogen
CID 155739096
3-amino-2,2,3-trimethyl-N-(1-methylpyrazol-4-yl)butanamide
CID 65264942
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 111473435
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 76925346
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
1-amino-N-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 65465915
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
1-(1-methylpyrazol-4-yl)-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129002052

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate?
The IUPAC name of 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate (CID 155404223) is 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate.
What is the SMILES notation for 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate?
The canonical SMILES for 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate is CC(C)C(C)COC(=O)Nc1cnn(C)c1.
What is the InChIKey of 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate?
The InChIKey is NFYYIISBFJWTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)9(3)7-16-11(15)13-10-5-12-14(4)6-10/h5-6,8-9H,7H2,1-4H3,(H,13,15).
What are the key properties of 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate?
2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate has a molecular weight of 225.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutyl N-(1-methylpyrazol-4-yl)carbamate is sourced from PubChem (CID 155404223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).