ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate

C18H25N5O2 — CID 20855147

IUPACethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCCOC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C
InChIInChI=1S/C18H25N5O2/c1-4-25-18(24)10-7-15-13(2)21-23(14(15)3)17-9-8-16(19-20-17)22-11-5-6-12-22/h8-9H,4-7,10-12H2,1-3H3
InChIKeyZBKCHQWQBTUHIW-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.38
Rot. Bonds6

About ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate

ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate (PubChem CID 20855147) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate
PubChem CID20855147
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nameethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCCOC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C
InChIInChI=1S/C18H25N5O2/c1-4-25-18(24)10-7-15-13(2)21-23(14(15)3)17-9-8-16(19-20-17)22-11-5-6-12-22/h8-9H,4-7,10-12H2,1-3H3
InChIKeyZBKCHQWQBTUHIW-UHFFFAOYSA-N
XLogP2.38
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate 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

CID 6625089
CID 6625089
CID 6625018
CID 6625018
CID 6625053
CID 6625053
CID 20855116
CID 20855116
CID 20855118
CID 20855118
CID 20855149
CID 20855149
CID 20855172
CID 20855172
CID 20855176
CID 20855176
CID 20855178
CID 20855178
CID 20946842
CID 20946842
CID 20946857
CID 20946857
CID 20946860
CID 20946860

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate (CID 20855147) is ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate is CCOC(=O)CCc1c(C)nn(-c2ccc(N3CCCC3)nn2)c1C.
What is the InChIKey of ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The InChIKey is ZBKCHQWQBTUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-25-18(24)10-7-15-13(2)21-23(14(15)3)17-9-8-16(19-20-17)22-11-5-6-12-22/h8-9H,4-7,10-12H2,1-3H3.
What are the key properties of ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate has a molecular weight of 343.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoate is sourced from PubChem (CID 20855147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).