4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid

C8H13N5O2 — CID 83848846

IUPAC4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid
SMILESNc1cc(N2CCNC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C8H13N5O2/c9-6-3-7(12-11-6)13-2-1-10-5(4-13)8(14)15/h3,5,10H,1-2,4H2,(H,14,15)(H3,9,11,12)
InChIKeyICKXRRAFJCPQAY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.15
Rot. Bonds2

About 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid

4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid (PubChem CID 83848846) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid
PubChem CID83848846
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid
SMILESNc1cc(N2CCNC(C(=O)O)C2)n[nH]1
InChIInChI=1S/C8H13N5O2/c9-6-3-7(12-11-6)13-2-1-10-5(4-13)8(14)15/h3,5,10H,1-2,4H2,(H,14,15)(H3,9,11,12)
InChIKeyICKXRRAFJCPQAY-UHFFFAOYSA-N
XLogP-1.15
TPSA107.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperazin-1-yl-1H-pyrazol-5-amine
CID 123624176
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56877905
(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
(2R)-4-(4,6-dimethylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 97176235
4-(6-methyl-2-phenylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 56867245
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
(2S)-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]piperazine-2-carboxylic acid
CID 95455758
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 71649700
4-(6-nitroquinoxalin-2-yl)piperazine-2-carboxylic acid
CID 71649706
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid (CID 83848846) is 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid is Nc1cc(N2CCNC(C(=O)O)C2)n[nH]1.
What is the InChIKey of 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid?
The InChIKey is ICKXRRAFJCPQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-6-3-7(12-11-6)13-2-1-10-5(4-13)8(14)15/h3,5,10H,1-2,4H2,(H,14,15)(H3,9,11,12).
What are the key properties of 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid?
4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid has a molecular weight of 211.22 g/mol, XLogP of -1.15, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-pyrazol-3-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 83848846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).