5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine

C13H22N4O — CID 122508931

IUPAC5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(C3CCOCC3)CC2)[nH]n1
InChIInChI=1S/C13H22N4O/c14-13-9-12(15-16-13)10-1-5-17(6-2-10)11-3-7-18-8-4-11/h9-11H,1-8H2,(H3,14,15,16)
InChIKeyPKCXSJRNYUHQNU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.35
Rot. Bonds2

About 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 122508931) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID122508931
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(C3CCOCC3)CC2)[nH]n1
InChIInChI=1S/C13H22N4O/c14-13-9-12(15-16-13)10-1-5-17(6-2-10)11-3-7-18-8-4-11/h9-11H,1-8H2,(H3,14,15,16)
InChIKeyPKCXSJRNYUHQNU-UHFFFAOYSA-N
XLogP1.35
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine (CID 122508931) is 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(C3CCOCC3)CC2)[nH]n1.
What is the InChIKey of 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is PKCXSJRNYUHQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-13-9-12(15-16-13)10-1-5-17(6-2-10)11-3-7-18-8-4-11/h9-11H,1-8H2,(H3,14,15,16).
What are the key properties of 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 250.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxan-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 122508931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).