methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate

C10H15N3O3 — CID 43623187

IUPACmethyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)c1ccn[nH]1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)8(10(15)16-3)12-9(14)7-4-5-11-13-7/h4-6,8H,1-3H3,(H,11,13)(H,12,14)
InChIKeyTXMHEGWPTSKPNB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.34
Rot. Bonds4

About methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate

methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate (PubChem CID 43623187) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate
PubChem CID43623187
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate
SMILESCOC(=O)C(NC(=O)c1ccn[nH]1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)8(10(15)16-3)12-9(14)7-4-5-11-13-7/h4-6,8H,1-3H3,(H,11,13)(H,12,14)
InChIKeyTXMHEGWPTSKPNB-UHFFFAOYSA-N
XLogP0.34
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate 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 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate?
The IUPAC name of methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate (CID 43623187) is methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate?
The canonical SMILES for methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate is COC(=O)C(NC(=O)c1ccn[nH]1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate?
The InChIKey is TXMHEGWPTSKPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)8(10(15)16-3)12-9(14)7-4-5-11-13-7/h4-6,8H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate?
methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(1H-pyrazole-5-carbonylamino)butanoate is sourced from PubChem (CID 43623187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).