N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine

C17H25N3 — CID 141366767

IUPACN-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H25N3/c1-6-19(5)13-14-7-9-15(10-8-14)20-12-11-16(18-20)17(2,3)4/h7-12H,6,13H2,1-5H3
InChIKeyPPGXVOPFORSBOG-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.62
Rot. Bonds4

About N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine

N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine (PubChem CID 141366767) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
PubChem CID141366767
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
SMILESCCN(C)Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1
InChIInChI=1S/C17H25N3/c1-6-19(5)13-14-7-9-15(10-8-14)20-12-11-16(18-20)17(2,3)4/h7-12H,6,13H2,1-5H3
InChIKeyPPGXVOPFORSBOG-UHFFFAOYSA-N
XLogP3.62
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
CID 141366779
1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
CID 141134716
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
CID 22889878
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N,N-dimethylazetidin-3-amine
CID 141422239
3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
CID 67021582
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
CID 146511965
3-tert-butyl-5-methoxy-1-phenylpyrazole;3-tert-butyl-5-methyl-1-phenylpyrazole;3-tert-butyl-1-phenylpyrazole
CID 158585861
N-methyl-1-(4-pyrazol-1-ylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 56883288
2-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methoxy]ethanol
CID 141366787
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine?
The IUPAC name of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine (CID 141366767) is N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine.
What is the SMILES notation for N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine?
The canonical SMILES for N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine is CCN(C)Cc1ccc(-n2ccc(C(C)(C)C)n2)cc1.
What is the InChIKey of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine?
The InChIKey is PPGXVOPFORSBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-19(5)13-14-7-9-15(10-8-14)20-12-11-16(18-20)17(2,3)4/h7-12H,6,13H2,1-5H3.
What are the key properties of N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine?
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine is sourced from PubChem (CID 141366767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).