N-pentyl-2-pyrazol-1-ylpyridin-3-amine

C13H18N4 — CID 43736889

IUPACN-pentyl-2-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCNc1cccnc1-n1cccn1
InChIInChI=1S/C13H18N4/c1-2-3-4-8-14-12-7-5-9-15-13(12)17-11-6-10-16-17/h5-7,9-11,14H,2-4,8H2,1H3
InChIKeyYWSZFHZSHYQVOF-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.87
Rot. Bonds6

About N-pentyl-2-pyrazol-1-ylpyridin-3-amine

N-pentyl-2-pyrazol-1-ylpyridin-3-amine (PubChem CID 43736889) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-pentyl-2-pyrazol-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-pentyl-2-pyrazol-1-ylpyridin-3-amine
PubChem CID43736889
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-pentyl-2-pyrazol-1-ylpyridin-3-amine
SMILESCCCCCNc1cccnc1-n1cccn1
InChIInChI=1S/C13H18N4/c1-2-3-4-8-14-12-7-5-9-15-13(12)17-11-6-10-16-17/h5-7,9-11,14H,2-4,8H2,1H3
InChIKeyYWSZFHZSHYQVOF-UHFFFAOYSA-N
XLogP2.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.87
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-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167520
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
N-heptyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945336
3-butyl-2-pyrazol-1-ylpyridine
CID 174933178
N-(2-pyrazol-1-yl-3-pyridinyl)propane-1-sulfonamide
CID 64584149
N-hexyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704280
N-octyl-6-pyrazol-1-ylpyridin-3-amine
CID 43704279
N-[(2-ethylpyrazol-3-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 75505630
2-bromo-N-pentylpyridin-3-amine
CID 88814302
2-pyrazol-1-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 75415259
N-[(3-methyltriazol-4-yl)methyl]-2-pyrazol-1-ylpyridin-3-amine
CID 104599717
N-heptylquinolin-8-amine
CID 43130175

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-pyrazol-1-ylpyridin-3-amine?
The IUPAC name of N-pentyl-2-pyrazol-1-ylpyridin-3-amine (CID 43736889) is N-pentyl-2-pyrazol-1-ylpyridin-3-amine.
What is the SMILES notation for N-pentyl-2-pyrazol-1-ylpyridin-3-amine?
The canonical SMILES for N-pentyl-2-pyrazol-1-ylpyridin-3-amine is CCCCCNc1cccnc1-n1cccn1.
What is the InChIKey of N-pentyl-2-pyrazol-1-ylpyridin-3-amine?
The InChIKey is YWSZFHZSHYQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-3-4-8-14-12-7-5-9-15-13(12)17-11-6-10-16-17/h5-7,9-11,14H,2-4,8H2,1H3.
What are the key properties of N-pentyl-2-pyrazol-1-ylpyridin-3-amine?
N-pentyl-2-pyrazol-1-ylpyridin-3-amine has a molecular weight of 230.32 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-pyrazol-1-ylpyridin-3-amine is sourced from PubChem (CID 43736889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).