ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate

C13H23N5O2 — CID 43554079

IUPACethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2c(N)c(C)nn2C)CC1
InChIInChI=1S/C13H23N5O2/c1-4-20-13(19)18-7-5-10(6-8-18)15-12-11(14)9(2)16-17(12)3/h10,15H,4-8,14H2,1-3H3
InChIKeyGSMWIIZMOBJDBD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.34
Rot. Bonds3

About ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 43554079) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID43554079
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Nameethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2c(N)c(C)nn2C)CC1
InChIInChI=1S/C13H23N5O2/c1-4-20-13(19)18-7-5-10(6-8-18)15-12-11(14)9(2)16-17(12)3/h10,15H,4-8,14H2,1-3H3
InChIKeyGSMWIIZMOBJDBD-UHFFFAOYSA-N
XLogP1.34
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103077884
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 114448111
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
(4-amino-1,3-dimethylpyrazol-5-yl)-(4-ethoxypiperidin-1-yl)methanone
CID 66125350
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate
CID 103363775
ethyl 2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]acetate
CID 60812243
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-[(1-methyl-4-nitropyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103079671
ethyl 4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]piperidine-1-carboxylate
CID 115623973
methyl 4-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]piperidine-1-carboxylate
CID 133441214

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate (CID 43554079) is ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2c(N)c(C)nn2C)CC1.
What is the InChIKey of ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is GSMWIIZMOBJDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-20-13(19)18-7-5-10(6-8-18)15-12-11(14)9(2)16-17(12)3/h10,15H,4-8,14H2,1-3H3.
What are the key properties of ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.34, 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-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 43554079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).