N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine

C17H25N3 — CID 82528562

IUPACN-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnn(-c2ccc(C)cc2C)c1C
InChIInChI=1S/C17H25N3/c1-6-14(4)18-10-16-11-19-20(15(16)5)17-8-7-12(2)9-13(17)3/h7-9,11,14,18H,6,10H2,1-5H3
InChIKeyMEWAGEZEJYYMRV-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.69
Rot. Bonds5

About N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine

N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine (PubChem CID 82528562) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
PubChem CID82528562
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnn(-c2ccc(C)cc2C)c1C
InChIInChI=1S/C17H25N3/c1-6-14(4)18-10-16-11-19-20(15(16)5)17-8-7-12(2)9-13(17)3/h7-9,11,14,18H,6,10H2,1-5H3
InChIKeyMEWAGEZEJYYMRV-UHFFFAOYSA-N
XLogP3.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
CID 82528434
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82527865
(2R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 93459109
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
4-(bromomethyl)-1-(2,4-dimethylphenyl)-5-ethylpyrazole
CID 66437059
N-[[5-(difluoromethyl)-1-(2,4-dimethylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441107
1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
N-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-1-amine
CID 82528542
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-2-amine
CID 82527870
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
N-[[1-(4-fluoro-2-methylphenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 63866539
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
CID 43381602

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
The IUPAC name of N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine (CID 82528562) is N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine is CCC(C)NCc1cnn(-c2ccc(C)cc2C)c1C.
What is the InChIKey of N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
The InChIKey is MEWAGEZEJYYMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-6-14(4)18-10-16-11-19-20(15(16)5)17-8-7-12(2)9-13(17)3/h7-9,11,14,18H,6,10H2,1-5H3.
What are the key properties of N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine?
N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 82528562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).