ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate

C14H25N3O2 — CID 66400895

IUPACethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C14H25N3O2/c1-6-19-14(18)9-17-12(5)13(11(4)16-17)8-15-7-10(2)3/h10,15H,6-9H2,1-5H3
InChIKeyRALQWBMQIMLCPW-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.81
Rot. Bonds7

About ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate

ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate (PubChem CID 66400895) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
PubChem CID66400895
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C14H25N3O2/c1-6-19-14(18)9-17-12(5)13(11(4)16-17)8-15-7-10(2)3/h10,15H,6-9H2,1-5H3
InChIKeyRALQWBMQIMLCPW-UHFFFAOYSA-N
XLogP1.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate 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

N-[[3,5-dimethyl-1-(2-methylidenebutyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66040224
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
N-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79185975
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43647774
3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 66401282
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127650
ethyl 2-[4-[[(3-amino-2,2-dimethylpropyl)-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 120842921
N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
CID 66401285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate (CID 66400895) is ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)c(CNCC(C)C)c1C.
What is the InChIKey of ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate?
The InChIKey is RALQWBMQIMLCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-6-19-14(18)9-17-12(5)13(11(4)16-17)8-15-7-10(2)3/h10,15H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate?
ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate has a molecular weight of 267.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]acetate is sourced from PubChem (CID 66400895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).