1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine

C19H21N3 — CID 173348604

IUPAC1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine
SMILESCc1cc(C)c(C)c(Nc2ccn(-c3ccccc3)n2)c1C
InChIInChI=1S/C19H21N3/c1-13-12-14(2)16(4)19(15(13)3)20-18-10-11-22(21-18)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,20,21)
InChIKeyNNHUKOYPHAXDOO-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.85
Rot. Bonds3

About 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine

1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine (PubChem CID 173348604) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine
PubChem CID173348604
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine
SMILESCc1cc(C)c(C)c(Nc2ccn(-c3ccccc3)n2)c1C
InChIInChI=1S/C19H21N3/c1-13-12-14(2)16(4)19(15(13)3)20-18-10-11-22(21-18)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,20,21)
InChIKeyNNHUKOYPHAXDOO-UHFFFAOYSA-N
XLogP4.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine?
The IUPAC name of 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine (CID 173348604) is 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine?
The canonical SMILES for 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine is Cc1cc(C)c(C)c(Nc2ccn(-c3ccccc3)n2)c1C.
What is the InChIKey of 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine?
The InChIKey is NNHUKOYPHAXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-13-12-14(2)16(4)19(15(13)3)20-18-10-11-22(21-18)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,20,21).
What are the key properties of 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine?
1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine has a molecular weight of 291.40 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,3,5,6-tetramethylphenyl)pyrazol-3-amine is sourced from PubChem (CID 173348604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).