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

C12H17N5O2 — CID 102795988

IUPAC1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
SMILESCCn1nc(N2CCCC(C(=O)O)C2)c(C#N)c1N
InChIInChI=1S/C12H17N5O2/c1-2-17-10(14)9(6-13)11(15-17)16-5-3-4-8(7-16)12(18)19/h8H,2-5,7,14H2,1H3,(H,18,19)
InChIKeyYRNFKVLUIDKNKH-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.66
Rot. Bonds3

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

1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid (PubChem CID 102795988) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
PubChem CID102795988
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
SMILESCCn1nc(N2CCCC(C(=O)O)C2)c(C#N)c1N
InChIInChI=1S/C12H17N5O2/c1-2-17-10(14)9(6-13)11(15-17)16-5-3-4-8(7-16)12(18)19/h8H,2-5,7,14H2,1H3,(H,18,19)
InChIKeyYRNFKVLUIDKNKH-UHFFFAOYSA-N
XLogP0.66
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
CID 102795329
1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 122051110
1-(4-amino-1-methylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 90481003
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
CID 102795311
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796652
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
CID 80507826
5-amino-1-butan-2-yl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796158
5-amino-3-(3-methylpiperidin-1-yl)-1-phenylpyrazole-4-carbonitrile
CID 102795272
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 102795684
5-amino-1-tert-butyl-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102795651
5-amino-1-[(3-methylphenyl)methyl]-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796480
5-amino-3-(1,4-diazepan-1-yl)-1-(3-methylbutyl)pyrazole-4-carbonitrile
CID 102796236

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid (CID 102795988) is 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid is CCn1nc(N2CCCC(C(=O)O)C2)c(C#N)c1N.
What is the InChIKey of 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid?
The InChIKey is YRNFKVLUIDKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-17-10(14)9(6-13)11(15-17)16-5-3-4-8(7-16)12(18)19/h8H,2-5,7,14H2,1H3,(H,18,19).
What are the key properties of 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid?
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102795988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).