N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine

C17H25N3 — CID 64681132

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1CNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H25N3/c1-5-15-8-6-7-9-16(15)12-18-10-14-11-19-20(13-14)17(2,3)4/h6-9,11,13,18H,5,10,12H2,1-4H3
InChIKeyBGZYUCGSHAEQDR-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.49
Rot. Bonds5

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine (PubChem CID 64681132) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
PubChem CID64681132
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
SMILESCCc1ccccc1CNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H25N3/c1-5-15-8-6-7-9-16(15)12-18-10-14-11-19-20(13-14)17(2,3)4/h6-9,11,13,18H,5,10,12H2,1-4H3
InChIKeyBGZYUCGSHAEQDR-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine (CID 64681132) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine is CCc1ccccc1CNCc1cnn(C(C)(C)C)c1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine?
The InChIKey is BGZYUCGSHAEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-15-8-6-7-9-16(15)12-18-10-14-11-19-20(13-14)17(2,3)4/h6-9,11,13,18H,5,10,12H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine is sourced from PubChem (CID 64681132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).