N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine

C15H22N4 — CID 43736970

IUPACN-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
SMILESCC(C)CCC(C)Nc1cccnc1-n1cccn1
InChIInChI=1S/C15H22N4/c1-12(2)7-8-13(3)18-14-6-4-9-16-15(14)19-11-5-10-17-19/h4-6,9-13,18H,7-8H2,1-3H3
InChIKeyCSUNRTWTDFIOPO-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.50
Rot. Bonds6

About N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine

N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 43736970) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
PubChem CID43736970
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine
SMILESCC(C)CCC(C)Nc1cccnc1-n1cccn1
InChIInChI=1S/C15H22N4/c1-12(2)7-8-13(3)18-14-6-4-9-16-15(14)19-11-5-10-17-19/h4-6,9-13,18H,7-8H2,1-3H3
InChIKeyCSUNRTWTDFIOPO-UHFFFAOYSA-N
XLogP3.50
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine (CID 43736970) is N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine is CC(C)CCC(C)Nc1cccnc1-n1cccn1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is CSUNRTWTDFIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)7-8-13(3)18-14-6-4-9-16-15(14)19-11-5-10-17-19/h4-6,9-13,18H,7-8H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine?
N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43736970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).