N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

C17H25N3 — CID 28554082

IUPACN-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-12-16(13(2)20(6)19-12)18-11-14-7-9-15(10-8-14)17(3,4)5/h7-10,18H,11H2,1-6H3
InChIKeyQQQACVYJWTWGHW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.95
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine

N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (PubChem CID 28554082) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
PubChem CID28554082
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine
SMILESCc1nn(C)c(C)c1NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25N3/c1-12-16(13(2)20(6)19-12)18-11-14-7-9-15(10-8-14)17(3,4)5/h7-10,18H,11H2,1-6H3
InChIKeyQQQACVYJWTWGHW-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine (CID 28554082) is N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is Cc1nn(C)c(C)c1NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
The InChIKey is QQQACVYJWTWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12-16(13(2)20(6)19-12)18-11-14-7-9-15(10-8-14)17(3,4)5/h7-10,18H,11H2,1-6H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine?
N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1,3,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 28554082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).