4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide

C21H27N5O — CID 134699691

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3c(C)cnn3CC(C)C)cc2)n1
InChIInChI=1S/C21H27N5O/c1-14(2)12-26-20(15(3)11-22-26)23-21(27)19-8-6-18(7-9-19)13-25-17(5)10-16(4)24-25/h6-11,14H,12-13H2,1-5H3,(H,23,27)
InChIKeyQWELBPAUZIKGSA-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.96
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide (PubChem CID 134699691) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide
PubChem CID134699691
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3c(C)cnn3CC(C)C)cc2)n1
InChIInChI=1S/C21H27N5O/c1-14(2)12-26-20(15(3)11-22-26)23-21(27)19-8-6-18(7-9-19)13-25-17(5)10-16(4)24-25/h6-11,14H,12-13H2,1-5H3,(H,23,27)
InChIKeyQWELBPAUZIKGSA-UHFFFAOYSA-N
XLogP3.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339970
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pentan-2-ylbenzamide
CID 48981331
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
N-(2-aminophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 58930508
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19296883
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100585501
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-prop-2-ynylbenzamide
CID 49015971

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide (CID 134699691) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(C)cnn3CC(C)C)cc2)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide?
The InChIKey is QWELBPAUZIKGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14(2)12-26-20(15(3)11-22-26)23-21(27)19-8-6-18(7-9-19)13-25-17(5)10-16(4)24-25/h6-11,14H,12-13H2,1-5H3,(H,23,27).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 134699691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).