3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine

C14H19N3 — CID 66430919

IUPAC3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine
SMILESCc1nn(CC(C)C)c(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3/c1-10(2)9-17-14(15)13(11(3)16-17)12-7-5-4-6-8-12/h4-8,10H,9,15H2,1-3H3
InChIKeyRKTIDSAYPGTWTK-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.10
Rot. Bonds3

About 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine

3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine (PubChem CID 66430919) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine
PubChem CID66430919
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine
SMILESCc1nn(CC(C)C)c(N)c1-c1ccccc1
InChIInChI=1S/C14H19N3/c1-10(2)9-17-14(15)13(11(3)16-17)12-7-5-4-6-8-12/h4-8,10H,9,15H2,1-3H3
InChIKeyRKTIDSAYPGTWTK-UHFFFAOYSA-N
XLogP3.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine (CID 66430919) is 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine is Cc1nn(CC(C)C)c(N)c1-c1ccccc1.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine?
The InChIKey is RKTIDSAYPGTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)9-17-14(15)13(11(3)16-17)12-7-5-4-6-8-12/h4-8,10H,9,15H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine?
3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine is sourced from PubChem (CID 66430919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).