4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline

C15H17N5 — CID 139240433

IUPAC4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESCc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/C15H17N5/c1-14-4-6-15(7-5-14)18(12-19-10-2-8-16-19)13-20-11-3-9-17-20/h2-11H,12-13H2,1H3
InChIKeyLFMMJJNBNBHXQY-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.51
Rot. Bonds5

About 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline

4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline (PubChem CID 139240433) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline
PubChem CID139240433
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline
SMILESCc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/C15H17N5/c1-14-4-6-15(7-5-14)18(12-19-10-2-8-16-19)13-20-11-3-9-17-20/h2-11H,12-13H2,1H3
InChIKeyLFMMJJNBNBHXQY-UHFFFAOYSA-N
XLogP2.51
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-phenyl-1H-pyrazole
CID 137946
4-(1H-pyrazol-1-ylmethyl)aniline
CID 2764412
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 16190778
N,N-bis((3,5-dimethylpyrazol-1-yl)methyl)aniline
CID 404563
1-p-Tolyl-1H-pyrazole
CID 809797
4-(1-Methyl-1H-pyrazol-3-yl)-phenylamine
CID 18526375
N,N-dimethyl-5-(4-pyrazol-1-ylphenyl)tetrazole-2-carboxamide
CID 72197979
5-(1,3-dimethyl-1H-pyrazol-4-yl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
CID 3453919
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 16189999
3-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}-2-ethyl-1-phenyl-1H-pyrazol-2-ium
CID 5916245
1-Benzyl-3-methyl-1H-pyrazole
CID 10419637
1-((4-(dimethylamino)phenyl)methyl)-1H-pyrazol-5-amine
CID 4962253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The IUPAC name of 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline (CID 139240433) is 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline is Cc1ccc(N(Cn2cccn2)Cn2cccn2)cc1.
What is the InChIKey of 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
The InChIKey is LFMMJJNBNBHXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-14-4-6-15(7-5-14)18(12-19-10-2-8-16-19)13-20-11-3-9-17-20/h2-11H,12-13H2,1H3.
What are the key properties of 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline?
4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline has a molecular weight of 267.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 139240433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).