ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate

C13H20N4O3 — CID 62081053

IUPACethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2n[nH]c(C)c2N)C1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)9-5-4-6-17(7-9)12(18)11-10(14)8(2)15-16-11/h9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyICNVMHFHHBZJID-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.72
Rot. Bonds3

About ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate

ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate (PubChem CID 62081053) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
PubChem CID62081053
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2n[nH]c(C)c2N)C1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)9-5-4-6-17(7-9)12(18)11-10(14)8(2)15-16-11/h9H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyICNVMHFHHBZJID-UHFFFAOYSA-N
XLogP0.72
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-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 N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
CID 62083190
ethyl (3R)-1-(4-chloro-5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 96538156
ethyl 1-(5-oxo-1,4-dihydro-1,2,4-triazole-3-carbonyl)piperidine-3-carboxylate
CID 136832041
methyl 1-(4-amino-5-ethyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 115533013
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl (3R)-1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 51939226
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113416712
(4-amino-5-propan-2-yl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 62076805

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate (CID 62081053) is ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2n[nH]c(C)c2N)C1.
What is the InChIKey of ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
The InChIKey is ICNVMHFHHBZJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-13(19)9-5-4-6-17(7-9)12(18)11-10(14)8(2)15-16-11/h9H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate?
ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 62081053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).