1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine

C16H23N3 — CID 66020605

IUPAC1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2cn(C)nc2C(C)(C)C)c1
InChIInChI=1S/C16H23N3/c1-16(2,3)15-14(11-19(5)18-15)13-8-6-7-12(9-13)10-17-4/h6-9,11,17H,10H2,1-5H3
InChIKeyZCFQEWHRHUWSCH-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds3

About 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine

1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine (PubChem CID 66020605) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
PubChem CID66020605
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2cn(C)nc2C(C)(C)C)c1
InChIInChI=1S/C16H23N3/c1-16(2,3)15-14(11-19(5)18-15)13-8-6-7-12(9-13)10-17-4/h6-9,11,17H,10H2,1-5H3
InChIKeyZCFQEWHRHUWSCH-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-tert-butyl-1-methylpyrazol-4-yl)aniline
CID 66020404
1-[2-(3-tert-butyl-1-methylpyrazol-4-yl)-5-chlorophenyl]-N-methylmethanamine
CID 66155715
1-(3-bromophenyl)-N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]methanamine
CID 83082889
3-tert-butyl-1-methyl-4-(4-methylphenyl)pyrazole
CID 58157464
N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023284
N-methyl-1-[3-(1-methylimidazol-2-yl)phenyl]methanamine
CID 58113407
[3-[3-(methylaminomethyl)phenyl]phenyl]methanamine
CID 58788121
4-[3-(hydroxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 170457592
1-[4-(3-ethyl-1-methylpyrazol-4-yl)-3-methylphenyl]-N-methylmethanamine
CID 66479456
3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzaldehyde
CID 172651268
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
N-methyl-1-[3-(3,4,5-trifluorophenyl)phenyl]methanamine
CID 61239496

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine (CID 66020605) is 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine is CNCc1cccc(-c2cn(C)nc2C(C)(C)C)c1.
What is the InChIKey of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
The InChIKey is ZCFQEWHRHUWSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)15-14(11-19(5)18-15)13-8-6-7-12(9-13)10-17-4/h6-9,11,17H,10H2,1-5H3.
What are the key properties of 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine?
1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 66020605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).