N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine

C18H27N3 — CID 82528434

IUPACN-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-15(5)19-10-17-11-20-21(16(17)6)18-13(3)8-12(2)9-14(18)4/h8-9,11,15,19H,7,10H2,1-6H3
InChIKeyUAELXNNJNKQFGP-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.99
Rot. Bonds5

About N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine

N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine (PubChem CID 82528434) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
PubChem CID82528434
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1cnn(-c2c(C)cc(C)cc2C)c1C
InChIInChI=1S/C18H27N3/c1-7-15(5)19-10-17-11-20-21(16(17)6)18-13(3)8-12(2)9-14(18)4/h8-9,11,15,19H,7,10H2,1-6H3
InChIKeyUAELXNNJNKQFGP-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2764412
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(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
1-p-Tolyl-1H-pyrazole
CID 809797
4-Pyrazol-1-YL-benzylamine
CID 2776483
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
CID 18526375
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16188374
(1R)-1-phenyl-N-((1R)-1-(1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)ethyl)ethanamine
CID 44543086
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-3-butenamide
CID 16188800
[2-(3-methyl-1H-pyrazol-1-yl)phenyl]methanamine
CID 19627377
1-Methyl-N-(2-phenylethyl)-1H-pyrazole-3-methanamine
CID 7017351
N-[[3-(3-methylphenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-3-(1-pyrazolyl)-1-propanamine
CID 16190473

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine (CID 82528434) is N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine is CCC(C)NCc1cnn(-c2c(C)cc(C)cc2C)c1C.
What is the InChIKey of N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine?
The InChIKey is UAELXNNJNKQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-7-15(5)19-10-17-11-20-21(16(17)6)18-13(3)8-12(2)9-14(18)4/h8-9,11,15,19H,7,10H2,1-6H3.
What are the key properties of N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine?
N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine has a molecular weight of 285.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methyl]butan-2-amine is sourced from PubChem (CID 82528434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).