2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid

C11H16N6O2 — CID 102796625

IUPAC2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
SMILESN#Cc1c(N2CCCC(N)C2)nn(CC(=O)O)c1N
InChIInChI=1S/C11H16N6O2/c12-4-8-10(14)17(6-9(18)19)15-11(8)16-3-1-2-7(13)5-16/h7H,1-3,5-6,13-14H2,(H,18,19)
InChIKeyWVUBCARJHYEPPR-UHFFFAOYSA-N
MW264.29 g/mol
LogP-0.65
Rot. Bonds3

About 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid

2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid (PubChem CID 102796625) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
PubChem CID102796625
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
SMILESN#Cc1c(N2CCCC(N)C2)nn(CC(=O)O)c1N
InChIInChI=1S/C11H16N6O2/c12-4-8-10(14)17(6-9(18)19)15-11(8)16-3-1-2-7(13)5-16/h7H,1-3,5-6,13-14H2,(H,18,19)
InChIKeyWVUBCARJHYEPPR-UHFFFAOYSA-N
XLogP-0.65
TPSA134.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 102795311
5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
CID 102795329
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796652
5-amino-3-(3-hydroxypiperidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796673
5-amino-1-benzyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795490
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 102795684
2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid
CID 102796631
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825444
3-(3-aminopiperidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80515008
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(4-bromophenyl)pyrazole-4-carbonitrile
CID 102796328
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
CID 102795272

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid (CID 102796625) is 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid is N#Cc1c(N2CCCC(N)C2)nn(CC(=O)O)c1N.
What is the InChIKey of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid?
The InChIKey is WVUBCARJHYEPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c12-4-8-10(14)17(6-9(18)19)15-11(8)16-3-1-2-7(13)5-16/h7H,1-3,5-6,13-14H2,(H,18,19).
What are the key properties of 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid?
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid has a molecular weight of 264.29 g/mol, XLogP of -0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid is sourced from PubChem (CID 102796625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).