1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid

C10H13N3O3 — CID 43565596

IUPAC1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C10H13N3O3/c14-9(7-5-11-12-6-7)13-4-2-1-3-8(13)10(15)16/h5-6,8H,1-4H2,(H,11,12)(H,15,16)
InChIKeyNWECISKVMRVHPE-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.49
Rot. Bonds2

About 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid

1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 43565596) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID43565596
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cn[nH]c1
InChIInChI=1S/C10H13N3O3/c14-9(7-5-11-12-6-7)13-4-2-1-3-8(13)10(15)16/h5-6,8H,1-4H2,(H,11,12)(H,15,16)
InChIKeyNWECISKVMRVHPE-UHFFFAOYSA-N
XLogP0.49
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43565591
[2-(chloromethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63395147
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019766
(2S)-1-(1H-pyrazole-4-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-pyrazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768660
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid (CID 43565596) is 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is NWECISKVMRVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9(7-5-11-12-6-7)13-4-2-1-3-8(13)10(15)16/h5-6,8H,1-4H2,(H,11,12)(H,15,16).
What are the key properties of 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid?
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 43565596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).