3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine

C13H18N4 — CID 80524694

IUPAC3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCCCCc1nn(C)c(N)c1-c1ccncc1
InChIInChI=1S/C13H18N4/c1-3-4-5-11-12(13(14)17(2)16-11)10-6-8-15-9-7-10/h6-9H,3-5,14H2,1-2H3
InChIKeyYCOUBAJRTLEYAQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.41
Rot. Bonds4

About 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine

3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine (PubChem CID 80524694) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
PubChem CID80524694
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
SMILESCCCCc1nn(C)c(N)c1-c1ccncc1
InChIInChI=1S/C13H18N4/c1-3-4-5-11-12(13(14)17(2)16-11)10-6-8-15-9-7-10/h6-9H,3-5,14H2,1-2H3
InChIKeyYCOUBAJRTLEYAQ-UHFFFAOYSA-N
XLogP2.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The IUPAC name of 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine (CID 80524694) is 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine.
What is the SMILES notation for 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The canonical SMILES for 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine is CCCCc1nn(C)c(N)c1-c1ccncc1.
What is the InChIKey of 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
The InChIKey is YCOUBAJRTLEYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-4-5-11-12(13(14)17(2)16-11)10-6-8-15-9-7-10/h6-9H,3-5,14H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine?
3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine has a molecular weight of 230.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine is sourced from PubChem (CID 80524694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).