4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid

C11H16N4O4 — CID 123756974

IUPAC4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid
SMILESCOC(=O)n1nc(C2CCN(C(=O)O)CC2)cc1N
InChIInChI=1S/C11H16N4O4/c1-19-11(18)15-9(12)6-8(13-15)7-2-4-14(5-3-7)10(16)17/h6-7H,2-5,12H2,1H3,(H,16,17)
InChIKeyZOWKRXSQYFJOES-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.94
Rot. Bonds1

About 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid

4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid (PubChem CID 123756974) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid
PubChem CID123756974
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid
SMILESCOC(=O)n1nc(C2CCN(C(=O)O)CC2)cc1N
InChIInChI=1S/C11H16N4O4/c1-19-11(18)15-9(12)6-8(13-15)7-2-4-14(5-3-7)10(16)17/h6-7H,2-5,12H2,1H3,(H,16,17)
InChIKeyZOWKRXSQYFJOES-UHFFFAOYSA-N
XLogP0.94
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 5-amino-3-propylpyrazole-1-carboxylate
CID 57172956
tert-butyl 5-amino-3-(1-(tert-butoxycarbonyl)azetidin-3-yl)-1H-pyrazole-1-carboxylate
CID 58044233
Methyl 5-amino-3-cyclohexylpyrazole-1-carboxylate
CID 58531022
5-Amino-3-cyclopropylpyrazole-1-carboxylic acid
CID 66614026
tert-butyl 6-(5-amino-3-tert-butylpyrazol-1-yl)-3,4,4a,7-tetrahydro-1H-isoquinoline-2-carboxylate
CID 69482989
Tert-butyl 4-(5-amino-1-isopropyl-1H-pyrazol-3-YL)piperidine-1-carboxylate
CID 89823856
2-[5-Amino-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-1-yl]ethylcarbamic acid
CID 90272210
tert-butyl 4-(3-amino-1-isopropyl-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 90292805
3-(5-Amino-1-methylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
CID 91366166
1-Methyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazol-5-amine
CID 115092256
(5-piperidin-4-yl-1H-pyrazol-3-yl)carbamic acid
CID 118020424
Tert-butyl 4-(5-formamido-1-isopropyl-1H-pyrazol-3-yl)piperidine-1-carboxylate
CID 118936297

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid (CID 123756974) is 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid is COC(=O)n1nc(C2CCN(C(=O)O)CC2)cc1N.
What is the InChIKey of 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is ZOWKRXSQYFJOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-19-11(18)15-9(12)6-8(13-15)7-2-4-14(5-3-7)10(16)17/h6-7H,2-5,12H2,1H3,(H,16,17).
What are the key properties of 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid?
4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methoxycarbonylpyrazol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 123756974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).