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

C17H25N3 — CID 82871053

IUPAC2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
SMILESCC(C)CNCC(Cc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(2)12-18-13-16(15-7-5-4-6-8-15)11-17-9-10-20(3)19-17/h4-10,14,16,18H,11-13H2,1-3H3
InChIKeyIAUJXGACQLDXNB-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.99
Rot. Bonds7

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

2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine (PubChem CID 82871053) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
PubChem CID82871053
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
SMILESCC(C)CNCC(Cc1ccn(C)n1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(2)12-18-13-16(15-7-5-4-6-8-15)11-17-9-10-20(3)19-17/h4-10,14,16,18H,11-13H2,1-3H3
InChIKeyIAUJXGACQLDXNB-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
N-ethyl-4-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 82881887
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 104810744
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82872115
[2-(1-methylpyrazol-3-yl)-1-phenylethyl]hydrazine
CID 105199243
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
N-[3-(4-chloro-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 114667317
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine (CID 82871053) is 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine is CC(C)CNCC(Cc1ccn(C)n1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine?
The InChIKey is IAUJXGACQLDXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(2)12-18-13-16(15-7-5-4-6-8-15)11-17-9-10-20(3)19-17/h4-10,14,16,18H,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine?
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine is sourced from PubChem (CID 82871053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).