N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

C17H21N5 — CID 77079178

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H21N5/c1-20(11-8-16-12-19-21(2)14-16)13-15-4-6-17(7-5-15)22-10-3-9-18-22/h3-7,9-10,12,14H,8,11,13H2,1-2H3
InChIKeyPRWZIQYDVSQZSQ-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.28
Rot. Bonds6

About N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine

N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 77079178) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID77079178
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H21N5/c1-20(11-8-16-12-19-21(2)14-16)13-15-4-6-17(7-5-15)22-10-3-9-18-22/h3-7,9-10,12,14H,8,11,13H2,1-2H3
InChIKeyPRWZIQYDVSQZSQ-UHFFFAOYSA-N
XLogP2.28
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine (CID 77079178) is N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is CN(CCc1cnn(C)c1)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is PRWZIQYDVSQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-20(11-8-16-12-19-21(2)14-16)13-15-4-6-17(7-5-15)22-10-3-9-18-22/h3-7,9-10,12,14H,8,11,13H2,1-2H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 295.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 77079178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).