methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate

C11H17N3O3 — CID 43623217

IUPACmethyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(2)6-9(11(16)17-3)13-10(15)8-4-5-12-14-8/h4-5,7,9H,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyYXQCCFKTTIMPNY-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.73
Rot. Bonds5

About methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate

methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate (PubChem CID 43623217) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate
PubChem CID43623217
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccn[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(2)6-9(11(16)17-3)13-10(15)8-4-5-12-14-8/h4-5,7,9H,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyYXQCCFKTTIMPNY-UHFFFAOYSA-N
XLogP0.73
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate 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 methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate (CID 43623217) is methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccn[nH]1.
What is the InChIKey of methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate?
The InChIKey is YXQCCFKTTIMPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)6-9(11(16)17-3)13-10(15)8-4-5-12-14-8/h4-5,7,9H,6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate?
methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate has a molecular weight of 239.28 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(1H-pyrazole-5-carbonylamino)pentanoate is sourced from PubChem (CID 43623217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).