N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline

C15H21N3 — CID 79579160

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cnn(C)c2C)c(C)c1
InChIInChI=1S/C15H21N3/c1-10-6-11(2)15(12(3)7-10)16-8-14-9-17-18(5)13(14)4/h6-7,9,16H,8H2,1-5H3
InChIKeyFSZMOJFGUGGNCR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.27
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline (PubChem CID 79579160) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
PubChem CID79579160
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(NCc2cnn(C)c2C)c(C)c1
InChIInChI=1S/C15H21N3/c1-10-6-11(2)15(12(3)7-10)16-8-14-9-17-18(5)13(14)4/h6-7,9,16H,8H2,1-5H3
InChIKeyFSZMOJFGUGGNCR-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83076309
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
2,4,6-trimethyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474954
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 114139841
2-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzene-1,2-diamine
CID 106035268
4-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79578705
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 79579238
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethylpyrimidin-4-amine
CID 113340081
2-chloro-4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylbenzene-1,4-diamine
CID 114139123
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 114139819

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline (CID 79579160) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline is Cc1cc(C)c(NCc2cnn(C)c2C)c(C)c1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
The InChIKey is FSZMOJFGUGGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-6-11(2)15(12(3)7-10)16-8-14-9-17-18(5)13(14)4/h6-7,9,16H,8H2,1-5H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 79579160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).