3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C18H21N5O — CID 19292552

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NCc3ccnn3C)c2)n1
InChIInChI=1S/C18H21N5O/c1-13-9-14(2)23(21-13)12-15-5-4-6-16(10-15)18(24)19-11-17-7-8-20-22(17)3/h4-10H,11-12H2,1-3H3,(H,19,24)
InChIKeyFDZXVCHWSYGWCS-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.21
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19292552) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19292552
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NCc3ccnn3C)c2)n1
InChIInChI=1S/C18H21N5O/c1-13-9-14(2)23(21-13)12-15-5-4-6-16(10-15)18(24)19-11-17-7-8-20-22(17)3/h4-10H,11-12H2,1-3H3,(H,19,24)
InChIKeyFDZXVCHWSYGWCS-UHFFFAOYSA-N
XLogP2.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226807
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19294390
3-amino-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304139
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56517585
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
3-[(2,4-dimethylphenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292623
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35324427
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294562
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 51128124

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 19292552) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)NCc3ccnn3C)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is FDZXVCHWSYGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-9-14(2)23(21-13)12-15-5-4-6-16(10-15)18(24)19-11-17-7-8-20-22(17)3/h4-10H,11-12H2,1-3H3,(H,19,24).
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19292552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).