4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile

C15H19N5 — CID 66019778

IUPAC4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
SMILESCC(C)c1nn(C)c(NCc2ccc(C#N)cc2)c1N
InChIInChI=1S/C15H19N5/c1-10(2)14-13(17)15(20(3)19-14)18-9-12-6-4-11(8-16)5-7-12/h4-7,10,18H,9,17H2,1-3H3
InChIKeyHQYLXCRQSWQAOR-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.61
Rot. Bonds4

About 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile

4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile (PubChem CID 66019778) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
PubChem CID66019778
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile
SMILESCC(C)c1nn(C)c(NCc2ccc(C#N)cc2)c1N
InChIInChI=1S/C15H19N5/c1-10(2)14-13(17)15(20(3)19-14)18-9-12-6-4-11(8-16)5-7-12/h4-7,10,18H,9,17H2,1-3H3
InChIKeyHQYLXCRQSWQAOR-UHFFFAOYSA-N
XLogP2.61
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile?
The IUPAC name of 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile (CID 66019778) is 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile?
The canonical SMILES for 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile is CC(C)c1nn(C)c(NCc2ccc(C#N)cc2)c1N.
What is the InChIKey of 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile?
The InChIKey is HQYLXCRQSWQAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-10(2)14-13(17)15(20(3)19-14)18-9-12-6-4-11(8-16)5-7-12/h4-7,10,18H,9,17H2,1-3H3.
What are the key properties of 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile?
4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile has a molecular weight of 269.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]benzonitrile is sourced from PubChem (CID 66019778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).