2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine

C16H23N3 — CID 115464297

IUPAC2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccccc1Cn1cccn1
InChIInChI=1S/C16H23N3/c1-16(2,3)17-11-9-14-7-4-5-8-15(14)13-19-12-6-10-18-19/h4-8,10,12,17H,9,11,13H2,1-3H3
InChIKeyUYVKQVIQHJVDHP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.86
Rot. Bonds5

About 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine

2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine (PubChem CID 115464297) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
PubChem CID115464297
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccccc1Cn1cccn1
InChIInChI=1S/C16H23N3/c1-16(2,3)17-11-9-14-7-4-5-8-15(14)13-19-12-6-10-18-19/h4-8,10,12,17H,9,11,13H2,1-3H3
InChIKeyUYVKQVIQHJVDHP-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464368
N-[2-(2-ethyl-3-pyridinyl)ethyl]-2-methylpropan-2-amine
CID 155163873
N-tert-butyl-5-pyrazol-1-ylpentan-1-amine
CID 62447161
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
CID 72863266
N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 55464118
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
2-methyl-N-[2-[2-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 116793677
1-propyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038103
1,1,2-trimethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850456
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
1-ethyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851028
1-ethyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine (CID 115464297) is 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine is CC(C)(C)NCCc1ccccc1Cn1cccn1.
What is the InChIKey of 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine?
The InChIKey is UYVKQVIQHJVDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-16(2,3)17-11-9-14-7-4-5-8-15(14)13-19-12-6-10-18-19/h4-8,10,12,17H,9,11,13H2,1-3H3.
What are the key properties of 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine?
2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).