ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate

C12H20N4O2 — CID 165476890

IUPACethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate
SMILESCCCn1nc(C(=O)OCC)c(C2CNC2)c1N
InChIInChI=1S/C12H20N4O2/c1-3-5-16-11(13)9(8-6-14-7-8)10(15-16)12(17)18-4-2/h8,14H,3-7,13H2,1-2H3
InChIKeyZMQKGLNXKOVJGM-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.74
Rot. Bonds5

About ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate

ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate (PubChem CID 165476890) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate
PubChem CID165476890
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate
SMILESCCCn1nc(C(=O)OCC)c(C2CNC2)c1N
InChIInChI=1S/C12H20N4O2/c1-3-5-16-11(13)9(8-6-14-7-8)10(15-16)12(17)18-4-2/h8,14H,3-7,13H2,1-2H3
InChIKeyZMQKGLNXKOVJGM-UHFFFAOYSA-N
XLogP0.74
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate 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

ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
CID 165463383
tert-butyl 4-(5-amino-3-methoxycarbonyl-1-propylpyrazol-4-yl)piperidine-1-carboxylate
CID 165486035
methyl 5-amino-4-cyclohexyl-1-ethylpyrazole-3-carboxylate
CID 165486036
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
ethyl 1,4,5-trimethyl-7-oxo-5,6-dihydro-4H-indazole-3-carboxylate
CID 141253426
ethyl (2S,4R)-7-(2-methoxy-2-oxoethyl)-5-oxo-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxylate
CID 121290015
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
ethyl 5-(azetidin-3-yl)-1H-1,2,4-triazole-3-carboxylate
CID 79316412
ethyl 1,5-dimethyltriazole-4-carboxylate
CID 14969764
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate (CID 165476890) is ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate is CCCn1nc(C(=O)OCC)c(C2CNC2)c1N.
What is the InChIKey of ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate?
The InChIKey is ZMQKGLNXKOVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-5-16-11(13)9(8-6-14-7-8)10(15-16)12(17)18-4-2/h8,14H,3-7,13H2,1-2H3.
What are the key properties of ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate?
ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate is sourced from PubChem (CID 165476890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).