2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine

C16H23N3 — CID 103014288

IUPAC2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCC(CCc1cnn(C)c1)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-17-11-15(10-14-6-4-3-5-7-14)8-9-16-12-18-19(2)13-16/h3-7,12-13,15,17H,8-11H2,1-2H3
InChIKeyZATXKCXTGOPYGL-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.43
Rot. Bonds7

About 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine

2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103014288) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103014288
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCNCC(CCc1cnn(C)c1)Cc1ccccc1
InChIInChI=1S/C16H23N3/c1-17-11-15(10-14-6-4-3-5-7-14)8-9-16-12-18-19(2)13-16/h3-7,12-13,15,17H,8-11H2,1-2H3
InChIKeyZATXKCXTGOPYGL-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-(1-methylpyrazol-4-yl)-N-propan-2-ylbutan-1-amine
CID 103014294
2-[(2-bromophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014397
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014292
N-methyl-2-[(2-methylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515440
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
2-[(3-methoxyphenyl)methyl]-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62515952
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636
4-[3-(bromomethyl)-4-(3-fluorophenyl)butyl]-1-methylpyrazole
CID 103018495
4-[3-[(3-bromophenyl)methyl]-4-chlorobutyl]-1-methylpyrazole
CID 103018312
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N,2-dimethyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62530457

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103014288) is 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine is CNCC(CCc1cnn(C)c1)Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is ZATXKCXTGOPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-11-15(10-14-6-4-3-5-7-14)8-9-16-12-18-19(2)13-16/h3-7,12-13,15,17H,8-11H2,1-2H3.
What are the key properties of 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine?
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103014288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).