N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine

C16H23N3 — CID 104626268

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCCc1ccn(C)n1
InChIInChI=1S/C16H23N3/c1-14(8-9-15-6-4-3-5-7-15)17-12-10-16-11-13-19(2)18-16/h3-7,11,13-14,17H,8-10,12H2,1-2H3
InChIKeySFSXQYFQXLCYKY-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine (PubChem CID 104626268) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
PubChem CID104626268
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCCc1ccn(C)n1
InChIInChI=1S/C16H23N3/c1-14(8-9-15-6-4-3-5-7-15)17-12-10-16-11-13-19(2)18-16/h3-7,11,13-14,17H,8-10,12H2,1-2H3
InChIKeySFSXQYFQXLCYKY-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
1-(2-bromophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 113434466
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-2-amine
CID 61213282
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
CID 104629114
N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-1-amine
CID 78920976
N-[2-(2-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104693843
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589
N-[(1-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 62757202
4-methyl-3-[2-(4-phenylbutan-2-ylamino)ethyl]-1H-1,2,4-triazol-5-one
CID 131944306
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine (CID 104626268) is N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCCc1ccn(C)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is SFSXQYFQXLCYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-14(8-9-15-6-4-3-5-7-15)17-12-10-16-11-13-19(2)18-16/h3-7,11,13-14,17H,8-10,12H2,1-2H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 104626268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).