ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate

C12H21N5O2 — CID 103077884

IUPACethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nn(C)cc2N)CC1
InChIInChI=1S/C12H21N5O2/c1-3-19-12(18)17-6-4-9(5-7-17)14-11-10(13)8-16(2)15-11/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyYPZGBRWCDJTDMF-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.04
Rot. Bonds3

About ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate (PubChem CID 103077884) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
PubChem CID103077884
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Nameethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nn(C)cc2N)CC1
InChIInChI=1S/C12H21N5O2/c1-3-19-12(18)17-6-4-9(5-7-17)14-11-10(13)8-16(2)15-11/h8-9H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyYPZGBRWCDJTDMF-UHFFFAOYSA-N
XLogP1.04
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-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 4-[(1-methyl-4-nitropyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103079671
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
CID 43554079
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 105366689
ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate
CID 103363775
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[2-(cyclopropylamino)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 106560676
ethyl 4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 136973814
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate (CID 103077884) is ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nn(C)cc2N)CC1.
What is the InChIKey of ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is YPZGBRWCDJTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-3-19-12(18)17-6-4-9(5-7-17)14-11-10(13)8-16(2)15-11/h8-9H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103077884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).