ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate

C13H21N5O3 — CID 62083190

IUPACethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2n[nH]c(C)c2N)C1
InChIInChI=1S/C13H21N5O3/c1-3-21-13(20)15-9-5-4-6-18(7-9)12(19)11-10(14)8(2)16-17-11/h9H,3-7,14H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyQJEOUQBIFHTICW-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.65
Rot. Bonds3

About ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate

ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate (PubChem CID 62083190) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
PubChem CID62083190
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Nameethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(C(=O)c2n[nH]c(C)c2N)C1
InChIInChI=1S/C13H21N5O3/c1-3-21-13(20)15-9-5-4-6-18(7-9)12(19)11-10(14)8(2)16-17-11/h9H,3-7,14H2,1-2H3,(H,15,20)(H,16,17)
InChIKeyQJEOUQBIFHTICW-UHFFFAOYSA-N
XLogP0.65
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 62081053
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605521
ethyl N-[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]carbamate
CID 75417290
ethyl N-[1-(4-methylpiperidine-4-carbonyl)piperidin-3-yl]carbamate
CID 63121976
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 62082297
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
ethyl N-[1-[2-(2-aminoethoxy)acetyl]piperidin-3-yl]carbamate
CID 79473770
ethyl N-[1-(3-aminopropanoyl)piperidin-3-yl]carbamate
CID 54873265
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
ethyl N-[1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidin-3-yl]carbamate
CID 115949885

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate (CID 62083190) is ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(C(=O)c2n[nH]c(C)c2N)C1.
What is the InChIKey of ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate?
The InChIKey is QJEOUQBIFHTICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-3-21-13(20)15-9-5-4-6-18(7-9)12(19)11-10(14)8(2)16-17-11/h9H,3-7,14H2,1-2H3,(H,15,20)(H,16,17).
What are the key properties of ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate?
ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate has a molecular weight of 295.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 62083190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).