4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine

C9H18N4O2 — CID 172838515

IUPAC4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine
SMILESNN1CCCCC1.O=C(O)C1=NNCC1
InChIInChI=1S/C5H12N2.C4H6N2O2/c6-7-4-2-1-3-5-7;7-4(8)3-1-2-5-6-3/h1-6H2;5H,1-2H2,(H,7,8)
InChIKeyWMCXATMDAQPNTG-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.23
Rot. Bonds1

About 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine

4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine (PubChem CID 172838515) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine
PubChem CID172838515
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine
SMILESNN1CCCCC1.O=C(O)C1=NNCC1
InChIInChI=1S/C5H12N2.C4H6N2O2/c6-7-4-2-1-3-5-7;7-4(8)3-1-2-5-6-3/h1-6H2;5H,1-2H2,(H,7,8)
InChIKeyWMCXATMDAQPNTG-UHFFFAOYSA-N
XLogP-0.23
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine?
The IUPAC name of 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine (CID 172838515) is 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine.
What is the SMILES notation for 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine?
The canonical SMILES for 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine is NN1CCCCC1.O=C(O)C1=NNCC1.
What is the InChIKey of 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine?
The InChIKey is WMCXATMDAQPNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C4H6N2O2/c6-7-4-2-1-3-5-7;7-4(8)3-1-2-5-6-3/h1-6H2;5H,1-2H2,(H,7,8).
What are the key properties of 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine?
4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine has a molecular weight of 214.27 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrazole-3-carboxylic acid;piperidin-1-amine is sourced from PubChem (CID 172838515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).