2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine

C15H21N3 — CID 107331147

IUPAC2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccnn1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-15(2,3)16-11-9-14-10-12-17-18(14)13-7-5-4-6-8-13/h4-8,10,12,16H,9,11H2,1-3H3
InChIKeyLRLYITQDLIDOAV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.80
Rot. Bonds4

About 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine

2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine (PubChem CID 107331147) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine
PubChem CID107331147
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine
SMILESCC(C)(C)NCCc1ccnn1-c1ccccc1
InChIInChI=1S/C15H21N3/c1-15(2,3)16-11-9-14-10-12-17-18(14)13-7-5-4-6-8-13/h4-8,10,12,16H,9,11H2,1-3H3
InChIKeyLRLYITQDLIDOAV-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107331506
5-(2,2-dimethylpropyl)-1-phenylpyrazole
CID 58161963
2-(tert-butylamino)-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331688
2-phenyl-N-propylpyrazol-3-amine
CID 54170155
5-benzyl-1-phenylpyrazole
CID 14003889
1-methyl-1-(2-methylpropyl)-3-[2-(2-phenylpyrazol-3-yl)ethyl]urea
CID 155954557
5-(methoxymethyl)-1-phenylpyrazole
CID 13434116
N-tert-butyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014276
2-[2-(2-methylpyrazol-3-yl)ethylamino]-2-phenylpropan-1-ol
CID 103002275
2-(ethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331632
3-methyl-3-(2-phenylpyrazol-3-yl)-N-propylbutan-1-amine
CID 107331523
2-methyl-N-[2-[2-(pyrazol-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 115464297

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine (CID 107331147) is 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine is CC(C)(C)NCCc1ccnn1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine?
The InChIKey is LRLYITQDLIDOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2,3)16-11-9-14-10-12-17-18(14)13-7-5-4-6-8-13/h4-8,10,12,16H,9,11H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(2-phenylpyrazol-3-yl)ethyl]propan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.80, 4 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-phenylpyrazol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 107331147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).