ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate

C16H29N3O2 — CID 64780042

IUPACethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H29N3O2/c1-5-10-18(13-16(20)21-8-4)12-14-9-11-19(17-14)15(6-2)7-3/h9,11,15H,5-8,10,12-13H2,1-4H3
InChIKeyNDZNMQINILDXCF-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.02
Rot. Bonds10

About ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate

ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate (PubChem CID 64780042) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
PubChem CID64780042
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nameethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OCC)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H29N3O2/c1-5-10-18(13-16(20)21-8-4)12-14-9-11-19(17-14)15(6-2)7-3/h9,11,15H,5-8,10,12-13H2,1-4H3
InChIKeyNDZNMQINILDXCF-UHFFFAOYSA-N
XLogP3.02
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]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

2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetonitrile
CID 64801479
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 64799832
N'-ethyl-N'-[(1-pentan-3-ylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 64800022
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 64784229
1-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 79389937
ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
2-[(1-butan-2-ylpyrazol-3-yl)methyl-propylamino]ethanol
CID 64777688
3-[ethyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]-2-methylpropanethioamide
CID 64800753
2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butanoic acid
CID 81008710
1-(dimethylamino)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-one
CID 79078114
3-[tert-butyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
CID 64784799
3-(bromomethyl)-1-pentan-3-ylpyrazole
CID 81222884

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate?
The IUPAC name of ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate (CID 64780042) is ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate?
The canonical SMILES for ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate is CCCN(CC(=O)OCC)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate?
The InChIKey is NDZNMQINILDXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-10-18(13-16(20)21-8-4)12-14-9-11-19(17-14)15(6-2)7-3/h9,11,15H,5-8,10,12-13H2,1-4H3.
What are the key properties of ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate?
ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate has a molecular weight of 295.43 g/mol, XLogP of 3.02, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate is sourced from PubChem (CID 64780042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).