N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine

C13H18N4 — CID 80635268

IUPACN-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2cccn2)c(C)c1
InChIInChI=1S/C13H18N4/c1-3-5-14-9-12-8-11(2)13(15-10-12)17-7-4-6-16-17/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyJQTXWSDSQTZUBY-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.08
Rot. Bonds5

About N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine

N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 80635268) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
PubChem CID80635268
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC NameN-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2cccn2)c(C)c1
InChIInChI=1S/C13H18N4/c1-3-5-14-9-12-8-11(2)13(15-10-12)17-7-4-6-16-17/h4,6-8,10,14H,3,5,9H2,1-2H3
InChIKeyJQTXWSDSQTZUBY-UHFFFAOYSA-N
XLogP2.08
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine (CID 80635268) is N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cnc(-n2cccn2)c(C)c1.
What is the InChIKey of N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is JQTXWSDSQTZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-5-14-9-12-8-11(2)13(15-10-12)17-7-4-6-16-17/h4,6-8,10,14H,3,5,9H2,1-2H3.
What are the key properties of N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine?
N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 230.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-6-pyrazol-1-yl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 80635268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).