5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid

C9H13N3O2 — CID 83409074

IUPAC5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H13N3O2/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyIZAPZPCRSAJOOQ-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.57
Rot. Bonds2

About 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid

5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid (PubChem CID 83409074) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
PubChem CID83409074
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C9H13N3O2/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,12)(H,13,14)
InChIKeyIZAPZPCRSAJOOQ-UHFFFAOYSA-N
XLogP0.57
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid (CID 83409074) is 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CCNCC2)[nH]n1.
What is the InChIKey of 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid?
The InChIKey is IZAPZPCRSAJOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(14)8-5-7(11-12-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid?
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 83409074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).