5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine

C16H22N4 — CID 117429379

IUPAC5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(CCN3CCCCC3)cc2)[nH]n1
InChIInChI=1S/C16H22N4/c17-16-12-15(18-19-16)14-6-4-13(5-7-14)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H3,17,18,19)
InChIKeyPOCCPRSCGNKFLQ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.69
Rot. Bonds4

About 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine

5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117429379) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117429379
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(CCN3CCCCC3)cc2)[nH]n1
InChIInChI=1S/C16H22N4/c17-16-12-15(18-19-16)14-6-4-13(5-7-14)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H3,17,18,19)
InChIKeyPOCCPRSCGNKFLQ-UHFFFAOYSA-N
XLogP2.69
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine (CID 117429379) is 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccc(CCN3CCCCC3)cc2)[nH]n1.
What is the InChIKey of 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is POCCPRSCGNKFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-16-12-15(18-19-16)14-6-4-13(5-7-14)8-11-20-9-2-1-3-10-20/h4-7,12H,1-3,8-11H2,(H3,17,18,19).
What are the key properties of 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine?
5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 270.38 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117429379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).