1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine

C16H23N3 — CID 60809957

IUPAC1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine
SMILESCC(CC(C)(C)c1ccccc1)Nc1ccn(C)n1
InChIInChI=1S/C16H23N3/c1-13(17-15-10-11-19(4)18-15)12-16(2,3)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,17,18)
InChIKeyZXXXADDEJBAXOH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.59
Rot. Bonds5

About 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine

1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine (PubChem CID 60809957) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine
PubChem CID60809957
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine
SMILESCC(CC(C)(C)c1ccccc1)Nc1ccn(C)n1
InChIInChI=1S/C16H23N3/c1-13(17-15-10-11-19(4)18-15)12-16(2,3)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,17,18)
InChIKeyZXXXADDEJBAXOH-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine?
The IUPAC name of 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine (CID 60809957) is 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine is CC(CC(C)(C)c1ccccc1)Nc1ccn(C)n1.
What is the InChIKey of 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine?
The InChIKey is ZXXXADDEJBAXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(17-15-10-11-19(4)18-15)12-16(2,3)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,17,18).
What are the key properties of 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine?
1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine has a molecular weight of 257.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine is sourced from PubChem (CID 60809957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).