N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine

C15H22N4 — CID 43704213

IUPACN-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCC(C)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H22N4/c1-3-4-5-7-13(2)18-14-8-9-15(16-12-14)19-11-6-10-17-19/h6,8-13,18H,3-5,7H2,1-2H3
InChIKeyINTVHHQOOIRSSA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.65
Rot. Bonds7

About N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine

N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine (PubChem CID 43704213) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
PubChem CID43704213
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCC(C)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C15H22N4/c1-3-4-5-7-13(2)18-14-8-9-15(16-12-14)19-11-6-10-17-19/h6,8-13,18H,3-5,7H2,1-2H3
InChIKeyINTVHHQOOIRSSA-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.65
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

N-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
N-octyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704279
N-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973
N-(1-phenylpropyl)-6-pyrazol-1-ylpyridin-3-amine
CID 43704473
6-bromo-N-nonan-2-ylpyridin-3-amine
CID 114051593
1-N,4-N-bis[(2R)-nonan-2-yl]benzene-1,4-diamine
CID 98160565
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
5-(heptan-2-ylamino)pyridine-2-carbonitrile
CID 115487559
6-(2-methylimidazol-1-yl)-N-pentan-2-ylpyridin-3-amine
CID 43748679
1-[(2S)-3-methylbutan-2-yl]-3-(6-pyrazol-1-yl-3-pyridinyl)urea
CID 94167183

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine (CID 43704213) is N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine is CCCCCC(C)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine?
The InChIKey is INTVHHQOOIRSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-4-5-7-13(2)18-14-8-9-15(16-12-14)19-11-6-10-17-19/h6,8-13,18H,3-5,7H2,1-2H3.
What are the key properties of N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine?
N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine has a molecular weight of 258.37 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-6-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43704213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).