2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine

C13H18N4 — CID 79251814

IUPAC2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(Cn2ccc(C)n2)c1
InChIInChI=1S/C13H18N4/c1-3-6-14-12-4-7-15-13(9-12)10-17-8-5-11(2)16-17/h4-5,7-9H,3,6,10H2,1-2H3,(H,14,15)
InChIKeyKWYGAHPWRGYRLH-UHFFFAOYSA-N
MW230.32 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine

2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 79251814) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
PubChem CID79251814
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(Cn2ccc(C)n2)c1
InChIInChI=1S/C13H18N4/c1-3-6-14-12-4-7-15-13(9-12)10-17-8-5-11(2)16-17/h4-5,7-9H,3,6,10H2,1-2H3,(H,14,15)
InChIKeyKWYGAHPWRGYRLH-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine (CID 79251814) is 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(Cn2ccc(C)n2)c1.
What is the InChIKey of 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is KWYGAHPWRGYRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-6-14-12-4-7-15-13(9-12)10-17-8-5-11(2)16-17/h4-5,7-9H,3,6,10H2,1-2H3,(H,14,15).
What are the key properties of 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 230.32 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79251814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).