3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline

C16H19N5 — CID 139240435

IUPAC3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESCc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1
InChIInChI=1S/C16H19N5/c1-14-9-15(2)11-16(10-14)19(12-20-7-3-5-17-20)13-21-8-4-6-18-21/h3-11H,12-13H2,1-2H3
InChIKeyZPBGARKLEFJRCZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.82
Rot. Bonds5

About 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline

3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline (PubChem CID 139240435) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
PubChem CID139240435
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESCc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1
InChIInChI=1S/C16H19N5/c1-14-9-15(2)11-16(10-14)19(12-20-7-3-5-17-20)13-21-8-4-6-18-21/h3-11H,12-13H2,1-2H3
InChIKeyZPBGARKLEFJRCZ-UHFFFAOYSA-N
XLogP2.82
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Metazachlor metabolite M6
CID 51071992
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
4-(1-methyl-3-pyrrolidinyl)-1-[3-(1H-pyrazol-1-yl)benzyl]piperidine
CID 45245513
US10155727, Example 55
CID 118864216
US10155727, Example 54
CID 118864218
1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[3-(1H-pyrazol-1-yl)benzyl]methanamine
CID 16188349
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 16189999
US10155727, Example 48
CID 118864240
3-methyl-6-(3-{1-[2-(1-pyrrolidinyl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridazine
CID 29149585
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[3-(1H-pyrazol-1-yl)benzyl]cyclopropanamine
CID 50982921
N,N,1,3-tetramethyl-4-[[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]methyl]pyrazol-5-amine
CID 51105193
4-[2-(1H-pyrazol-1-yl)ethyl]-1-[3-(1H-pyrazol-1-ylmethyl)benzyl]piperidine
CID 70739734

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The IUPAC name of 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline (CID 139240435) is 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline is Cc1cc(C)cc(N(Cn2cccn2)Cn2cccn2)c1.
What is the InChIKey of 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The InChIKey is ZPBGARKLEFJRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-14-9-15(2)11-16(10-14)19(12-20-7-3-5-17-20)13-21-8-4-6-18-21/h3-11H,12-13H2,1-2H3.
What are the key properties of 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline has a molecular weight of 281.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N,N-bis(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 139240435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).