N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine

C12H16N4 — CID 155449767

IUPACN-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine
SMILESCC(C)c1cn(C)nc1Nc1ccncc1
InChIInChI=1S/C12H16N4/c1-9(2)11-8-16(3)15-12(11)14-10-4-6-13-7-5-10/h4-9H,1-3H3,(H,13,14,15)
InChIKeyHSMVEZIRJKTKKS-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.68
Rot. Bonds3

About N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine

N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine (PubChem CID 155449767) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine
PubChem CID155449767
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine
SMILESCC(C)c1cn(C)nc1Nc1ccncc1
InChIInChI=1S/C12H16N4/c1-9(2)11-8-16(3)15-12(11)14-10-4-6-13-7-5-10/h4-9H,1-3H3,(H,13,14,15)
InChIKeyHSMVEZIRJKTKKS-UHFFFAOYSA-N
XLogP2.68
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine?
The IUPAC name of N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine (CID 155449767) is N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine.
What is the SMILES notation for N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine?
The canonical SMILES for N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine is CC(C)c1cn(C)nc1Nc1ccncc1.
What is the InChIKey of N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine?
The InChIKey is HSMVEZIRJKTKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(2)11-8-16(3)15-12(11)14-10-4-6-13-7-5-10/h4-9H,1-3H3,(H,13,14,15).
What are the key properties of N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine?
N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine has a molecular weight of 216.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-propan-2-ylpyrazol-3-yl)pyridin-4-amine is sourced from PubChem (CID 155449767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).