1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine

C18H24N6 — CID 86240753

IUPAC1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(C)n(CNc2ccc(NCn3nc(C)cc3C)cc2)n1
InChIInChI=1S/C18H24N6/c1-13-9-15(3)23(21-13)11-19-17-5-7-18(8-6-17)20-12-24-16(4)10-14(2)22-24/h5-10,19-20H,11-12H2,1-4H3
InChIKeyQZHZOURVHUVCNN-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.45
Rot. Bonds6

About 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine

1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine (PubChem CID 86240753) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
PubChem CID86240753
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
SMILESCc1cc(C)n(CNc2ccc(NCn3nc(C)cc3C)cc2)n1
InChIInChI=1S/C18H24N6/c1-13-9-15(3)23(21-13)11-19-17-5-7-18(8-6-17)20-12-24-16(4)10-14(2)22-24/h5-10,19-20H,11-12H2,1-4H3
InChIKeyQZHZOURVHUVCNN-UHFFFAOYSA-N
XLogP3.45
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-fluoroaniline
CID 762793
N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline
CID 17325363
N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 27285546
1-ethyl-3,5-dimethylpyrazole
CID 565993
3-bromo-N-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methylpyridin-2-amine
CID 122404054
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzoic acid
CID 114537305
2-(3,5-dimethylpyrazol-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43648249
1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
2-[4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]phenyl]acetic acid
CID 43648219
1-[(Z)-3-chloro-2-methylprop-2-enyl]-3,5-dimethylpyrazole
CID 106440153
4-(3,5-dimethylpyrazol-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64809852

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine (CID 86240753) is 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine is Cc1cc(C)n(CNc2ccc(NCn3nc(C)cc3C)cc2)n1.
What is the InChIKey of 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine?
The InChIKey is QZHZOURVHUVCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-13-9-15(3)23(21-13)11-19-17-5-7-18(8-6-17)20-12-24-16(4)10-14(2)22-24/h5-10,19-20H,11-12H2,1-4H3.
What are the key properties of 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine?
1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine has a molecular weight of 324.43 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 86240753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).