3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine

C17H24N4 — CID 43547187

IUPAC3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H24N4/c1-13-17(14(2)20-19-13)18-12-15-6-8-16(9-7-15)21-10-4-3-5-11-21/h6-9,18H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKeyKTOJEXBHCQLUGY-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.63
Rot. Bonds4

About 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine

3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine (PubChem CID 43547187) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
PubChem CID43547187
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H24N4/c1-13-17(14(2)20-19-13)18-12-15-6-8-16(9-7-15)21-10-4-3-5-11-21/h6-9,18H,3-5,10-12H2,1-2H3,(H,19,20)
InChIKeyKTOJEXBHCQLUGY-UHFFFAOYSA-N
XLogP3.63
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine (CID 43547187) is 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine?
The InChIKey is KTOJEXBHCQLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-17(14(2)20-19-13)18-12-15-6-8-16(9-7-15)21-10-4-3-5-11-21/h6-9,18H,3-5,10-12H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine?
3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazol-4-amine is sourced from PubChem (CID 43547187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).