1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine

C14H20N4 — CID 80522986

IUPAC1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine
SMILESCCC(C)(C)c1nn(C)c(N)c1-c1cccnc1
InChIInChI=1S/C14H20N4/c1-5-14(2,3)12-11(13(15)18(4)17-12)10-7-6-8-16-9-10/h6-9H,5,15H2,1-4H3
InChIKeyXJIOTPFMERYYLP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine

1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80522986) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80522986
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine
SMILESCCC(C)(C)c1nn(C)c(N)c1-c1cccnc1
InChIInChI=1S/C14H20N4/c1-5-14(2,3)12-11(13(15)18(4)17-12)10-7-6-8-16-9-10/h6-9H,5,15H2,1-4H3
InChIKeyXJIOTPFMERYYLP-UHFFFAOYSA-N
XLogP2.75
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine (CID 80522986) is 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine is CCC(C)(C)c1nn(C)c(N)c1-c1cccnc1.
What is the InChIKey of 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is XJIOTPFMERYYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-5-14(2,3)12-11(13(15)18(4)17-12)10-7-6-8-16-9-10/h6-9H,5,15H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine?
1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylbutan-2-yl)-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80522986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).