2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine

C15H21N3 — CID 113343469

IUPAC2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
SMILESCn1ccc(CNC(C)(C)Cc2ccccc2)n1
InChIInChI=1S/C15H21N3/c1-15(2,11-13-7-5-4-6-8-13)16-12-14-9-10-18(3)17-14/h4-10,16H,11-12H2,1-3H3
InChIKeyZDWVPZKATPWFPF-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine

2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 113343469) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
PubChem CID113343469
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
SMILESCn1ccc(CNC(C)(C)Cc2ccccc2)n1
InChIInChI=1S/C15H21N3/c1-15(2,11-13-7-5-4-6-8-13)16-12-14-9-10-18(3)17-14/h4-10,16H,11-12H2,1-3H3
InChIKeyZDWVPZKATPWFPF-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
2-ethyl-2-[(1-methylpyrazol-3-yl)methylamino]propane-1,3-diol
CID 115876423
1-chloro-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-2-amine
CID 82872231
2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 19619185
4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882084
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
3-chloro-2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82872132
3-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-methylpyrazole
CID 82871774
2,2-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]propanamide
CID 82874484
N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]-2-phenylethanamine
CID 82871683
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]phenol
CID 19627468

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine (CID 113343469) is 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine is Cn1ccc(CNC(C)(C)Cc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is ZDWVPZKATPWFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,11-13-7-5-4-6-8-13)16-12-14-9-10-18(3)17-14/h4-10,16H,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine?
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 113343469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).