1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid

C23H32N4O2 — CID 89482602

IUPAC1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
SMILESCC1(n2nc(C3CCCCN3)cc2N)CC=CCC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C15H24N4.C8H8O2/c1-15(8-4-2-5-9-15)19-14(16)11-13(18-19)12-7-3-6-10-17-12;9-8(10)6-7-4-2-1-3-5-7/h2,4,11-12,17H,3,5-10,16H2,1H3;1-5H,6H2,(H,9,10)
InChIKeyGGVCZSOZVIANDW-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.05
Rot. Bonds4

About 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid

1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid (PubChem CID 89482602) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid.

Molecular Properties

Compound Name1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
PubChem CID89482602
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid
SMILESCC1(n2nc(C3CCCCN3)cc2N)CC=CCC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C15H24N4.C8H8O2/c1-15(8-4-2-5-9-15)19-14(16)11-13(18-19)12-7-3-6-10-17-12;9-8(10)6-7-4-2-1-3-5-7/h2,4,11-12,17H,3,5-10,16H2,1H3;1-5H,6H2,(H,9,10)
InChIKeyGGVCZSOZVIANDW-UHFFFAOYSA-N
XLogP4.05
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
The IUPAC name of 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid (CID 89482602) is 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid.
What is the SMILES notation for 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
The canonical SMILES for 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid is CC1(n2nc(C3CCCCN3)cc2N)CC=CCC1.O=C(O)Cc1ccccc1.
What is the InChIKey of 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
The InChIKey is GGVCZSOZVIANDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4.C8H8O2/c1-15(8-4-2-5-9-15)19-14(16)11-13(18-19)12-7-3-6-10-17-12;9-8(10)6-7-4-2-1-3-5-7/h2,4,11-12,17H,3,5-10,16H2,1H3;1-5H,6H2,(H,9,10).
What are the key properties of 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid?
1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid has a molecular weight of 396.54 g/mol, XLogP of 4.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohex-3-en-1-yl)-3-piperidin-2-ylpyrazol-5-amine;2-phenylacetic acid is sourced from PubChem (CID 89482602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).