1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine

C15H20N4 — CID 83223048

IUPAC1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine
SMILESNc1cn(C2CCCCCC2)nc1-c1cccnc1
InChIInChI=1S/C15H20N4/c16-14-11-19(13-7-3-1-2-4-8-13)18-15(14)12-6-5-9-17-10-12/h5-6,9-11,13H,1-4,7-8,16H2
InChIKeyFXHXDLUKTBXHCT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.42
Rot. Bonds2

About 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine

1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine (PubChem CID 83223048) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine
PubChem CID83223048
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine
SMILESNc1cn(C2CCCCCC2)nc1-c1cccnc1
InChIInChI=1S/C15H20N4/c16-14-11-19(13-7-3-1-2-4-8-13)18-15(14)12-6-5-9-17-10-12/h5-6,9-11,13H,1-4,7-8,16H2
InChIKeyFXHXDLUKTBXHCT-UHFFFAOYSA-N
XLogP3.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine?
The IUPAC name of 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine (CID 83223048) is 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine.
What is the SMILES notation for 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine?
The canonical SMILES for 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine is Nc1cn(C2CCCCCC2)nc1-c1cccnc1.
What is the InChIKey of 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine?
The InChIKey is FXHXDLUKTBXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-14-11-19(13-7-3-1-2-4-8-13)18-15(14)12-6-5-9-17-10-12/h5-6,9-11,13H,1-4,7-8,16H2.
What are the key properties of 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine?
1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine is sourced from PubChem (CID 83223048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).