[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate

C12H21N3O2 — CID 155759206

IUPAC[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate
SMILESCc1cnn(C(CCOC(N)=O)C(C)(C)C)c1
InChIInChI=1S/C12H21N3O2/c1-9-7-14-15(8-9)10(12(2,3)4)5-6-17-11(13)16/h7-8,10H,5-6H2,1-4H3,(H2,13,16)
InChIKeyGDZAMBRIPGIWMX-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.26
Rot. Bonds4

About [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate

[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate (PubChem CID 155759206) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate.

Molecular Properties

Compound Name[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate
PubChem CID155759206
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate
SMILESCc1cnn(C(CCOC(N)=O)C(C)(C)C)c1
InChIInChI=1S/C12H21N3O2/c1-9-7-14-15(8-9)10(12(2,3)4)5-6-17-11(13)16/h7-8,10H,5-6H2,1-4H3,(H2,13,16)
InChIKeyGDZAMBRIPGIWMX-UHFFFAOYSA-N
XLogP2.26
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] 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 [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate?
The IUPAC name of [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate (CID 155759206) is [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate.
What is the SMILES notation for [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate?
The canonical SMILES for [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate is Cc1cnn(C(CCOC(N)=O)C(C)(C)C)c1.
What is the InChIKey of [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate?
The InChIKey is GDZAMBRIPGIWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-7-14-15(8-9)10(12(2,3)4)5-6-17-11(13)16/h7-8,10H,5-6H2,1-4H3,(H2,13,16).
What are the key properties of [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate?
[4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate has a molecular weight of 239.32 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 [4,4-dimethyl-3-(4-methylpyrazol-1-yl)pentyl] carbamate is sourced from PubChem (CID 155759206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).