5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid

C10H13N5O2 — CID 82589899

IUPAC5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)nn(C2CCNCC2)c1N
InChIInChI=1S/C10H13N5O2/c11-5-7-8(10(16)17)14-15(9(7)12)6-1-3-13-4-2-6/h6,13H,1-4,12H2,(H,16,17)
InChIKeyQKCSTZVJBTZXOL-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.04
Rot. Bonds2

About 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid

5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid (PubChem CID 82589899) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid
PubChem CID82589899
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)nn(C2CCNCC2)c1N
InChIInChI=1S/C10H13N5O2/c11-5-7-8(10(16)17)14-15(9(7)12)6-1-3-13-4-2-6/h6,13H,1-4,12H2,(H,16,17)
InChIKeyQKCSTZVJBTZXOL-UHFFFAOYSA-N
XLogP-0.04
TPSA116.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-cyano-1-methylpyrazole-3-carboxylic acid
CID 82589854
5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid
CID 105448864
2-[4-(5-amino-4-cyano-1-cyclobutylpyrazol-3-yl)phenyl]acetic acid
CID 164765583
5-amino-1-cyclohexyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrazole-4-carbonitrile
CID 102796086
5-amino-1-(4-bromophenyl)-4-cyanopyrazole-3-carboxylic acid
CID 13426030
5-amino-1-cyclopentyl-3-(cyclopropylmethylamino)pyrazole-4-carbonitrile
CID 102796047
5-amino-3-[(3E)-hexa-1,3,5-trien-3-yl]-1-(1-phosphanylpiperidin-3-yl)pyrazole-4-carbonitrile
CID 144618614
5,5-dioxo-1-piperidin-4-yl-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid
CID 66580610
5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
CID 102808763
1-cyclopentyl-5-piperidin-4-yltriazole-4-carboxylic acid
CID 103123557
5-amino-1-[(4-bromophenyl)methyl]-4-cyanopyrazole-3-carboxylic acid
CID 82589897
5-amino-1-cycloheptyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102796104

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid (CID 82589899) is 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid is N#Cc1c(C(=O)O)nn(C2CCNCC2)c1N.
What is the InChIKey of 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid?
The InChIKey is QKCSTZVJBTZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-5-7-8(10(16)17)14-15(9(7)12)6-1-3-13-4-2-6/h6,13H,1-4,12H2,(H,16,17).
What are the key properties of 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid?
5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid has a molecular weight of 235.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-1-piperidin-4-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 82589899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).