piperidin-1-amine;1H-pyrazole-5-carboxylic acid

C9H16N4O2 — CID 172745685

IUPACpiperidin-1-amine;1H-pyrazole-5-carboxylic acid
SMILESNN1CCCCC1.O=C(O)c1ccn[nH]1
InChIInChI=1S/C5H12N2.C4H4N2O2/c6-7-4-2-1-3-5-7;7-4(8)3-1-2-5-6-3/h1-6H2;1-2H,(H,5,6)(H,7,8)
InChIKeyJROVUUXOKZALIG-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.45
Rot. Bonds1

About piperidin-1-amine;1H-pyrazole-5-carboxylic acid

piperidin-1-amine;1H-pyrazole-5-carboxylic acid (PubChem CID 172745685) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is piperidin-1-amine;1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namepiperidin-1-amine;1H-pyrazole-5-carboxylic acid
PubChem CID172745685
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Namepiperidin-1-amine;1H-pyrazole-5-carboxylic acid
SMILESNN1CCCCC1.O=C(O)c1ccn[nH]1
InChIInChI=1S/C5H12N2.C4H4N2O2/c6-7-4-2-1-3-5-7;7-4(8)3-1-2-5-6-3/h1-6H2;1-2H,(H,5,6)(H,7,8)
InChIKeyJROVUUXOKZALIG-UHFFFAOYSA-N
XLogP0.45
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
CID 158864481
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CID 69227863
2-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 68994792
1H-pyrazole-5-carboxamide;hydrate
CID 172743817
1-(1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 166600812
1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole
CID 68956429
1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole
CID 68957529
[2-oxo-2-[4-[2-(1H-pyrazole-5-carbonyloxy)acetyl]piperazin-1-yl]ethyl] 1H-pyrazole-5-carboxylate
CID 55646655
(4-methylpiperazin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 60779006
N-(azetidin-3-yl)-1H-pyrazole-5-carboxamide
CID 66187687
2-[4-(1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62823385

Frequently Asked Questions

What is the IUPAC name of piperidin-1-amine;1H-pyrazole-5-carboxylic acid?
The IUPAC name of piperidin-1-amine;1H-pyrazole-5-carboxylic acid (CID 172745685) is piperidin-1-amine;1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for piperidin-1-amine;1H-pyrazole-5-carboxylic acid?
The canonical SMILES for piperidin-1-amine;1H-pyrazole-5-carboxylic acid is NN1CCCCC1.O=C(O)c1ccn[nH]1.
What is the InChIKey of piperidin-1-amine;1H-pyrazole-5-carboxylic acid?
The InChIKey is JROVUUXOKZALIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C4H4N2O2/c6-7-4-2-1-3-5-7;7-4(8)3-1-2-5-6-3/h1-6H2;1-2H,(H,5,6)(H,7,8).
What are the key properties of piperidin-1-amine;1H-pyrazole-5-carboxylic acid?
piperidin-1-amine;1H-pyrazole-5-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-amine;1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 172745685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).