1-(1-heptylpiperidin-4-yl)pyrazol-3-amine

C15H28N4 — CID 107109683

IUPAC1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
SMILESCCCCCCCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C15H28N4/c1-2-3-4-5-6-10-18-11-7-14(8-12-18)19-13-9-15(16)17-19/h9,13-14H,2-8,10-12H2,1H3,(H2,16,17)
InChIKeyXRMBFVPARWWVNB-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.07
Rot. Bonds7

About 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine

1-(1-heptylpiperidin-4-yl)pyrazol-3-amine (PubChem CID 107109683) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
PubChem CID107109683
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
SMILESCCCCCCCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C15H28N4/c1-2-3-4-5-6-10-18-11-7-14(8-12-18)19-13-9-15(16)17-19/h9,13-14H,2-8,10-12H2,1H3,(H2,16,17)
InChIKeyXRMBFVPARWWVNB-UHFFFAOYSA-N
XLogP3.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]pyrazol-3-amine
CID 107109665
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 107109700
1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109728
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 107110032
1-[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109996
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946

Frequently Asked Questions

What is the IUPAC name of 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine?
The IUPAC name of 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine (CID 107109683) is 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine?
The canonical SMILES for 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine is CCCCCCCN1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine?
The InChIKey is XRMBFVPARWWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-2-3-4-5-6-10-18-11-7-14(8-12-18)19-13-9-15(16)17-19/h9,13-14H,2-8,10-12H2,1H3,(H2,16,17).
What are the key properties of 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine?
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine has a molecular weight of 264.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-heptylpiperidin-4-yl)pyrazol-3-amine is sourced from PubChem (CID 107109683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).