1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid

C10H16N4O2 — CID 90481003

IUPAC1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid
SMILESCn1cc(N)c(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C10H16N4O2/c1-13-6-8(11)9(12-13)14-4-2-3-7(5-14)10(15)16/h6-7H,2-5,11H2,1H3,(H,15,16)
InChIKeyBDZKQRGFVNJNTG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.30
Rot. Bonds2

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

1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid (PubChem CID 90481003) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid
PubChem CID90481003
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid
SMILESCn1cc(N)c(N2CCCC(C(=O)O)C2)n1
InChIInChI=1S/C10H16N4O2/c1-13-6-8(11)9(12-13)14-4-2-3-7(5-14)10(15)16/h6-7H,2-5,11H2,1H3,(H,15,16)
InChIKeyBDZKQRGFVNJNTG-UHFFFAOYSA-N
XLogP0.30
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-1-methylpyrazol-3-yl)-N-methylpiperidine-3-carboxamide
CID 103194366
1-methyl-3-pyrrolidin-1-ylpyrazol-4-amine;dihydrochloride
CID 102565516
3-(3-ethylpiperidin-1-yl)-1-methylpyrazol-4-amine
CID 103078086
1-(4-amino-1-methylpyrazol-3-yl)pyrrolidin-3-ol
CID 103078450
3-(4-ethylazepan-1-yl)-1-methylpyrazol-4-amine
CID 103078568
1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine
CID 103078569
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
(3R)-1-(1-methyl-6-oxopyridazin-3-yl)piperidine-3-carboxylic acid
CID 92669109
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
1-methyl-3-[(2R)-2-methylpiperidin-1-yl]pyrazol-4-amine
CID 97298330
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid (CID 90481003) is 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid is Cn1cc(N)c(N2CCCC(C(=O)O)C2)n1.
What is the InChIKey of 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid?
The InChIKey is BDZKQRGFVNJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13-6-8(11)9(12-13)14-4-2-3-7(5-14)10(15)16/h6-7H,2-5,11H2,1H3,(H,15,16).
What are the key properties of 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid?
1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 90481003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).