4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

C17H23N5O2 — CID 136522886

IUPAC4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H23N5O2/c1-20(2)10-13-5-7-14(8-6-13)17(24)19-15-9-18-22(11-15)12-16(23)21(3)4/h5-9,11H,10,12H2,1-4H3,(H,19,24)
InChIKeyGLZLXBBTAQXUAB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.29
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide

4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 136522886) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID136522886
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H23N5O2/c1-20(2)10-13-5-7-14(8-6-13)17(24)19-15-9-18-22(11-15)12-16(23)21(3)4/h5-9,11H,10,12H2,1-4H3,(H,19,24)
InChIKeyGLZLXBBTAQXUAB-UHFFFAOYSA-N
XLogP1.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
4-[[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]benzoic acid
CID 122032636
4-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzamide
CID 43705831
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
2-[4-[(4-methylsulfanylbenzoyl)amino]pyrazol-1-yl]acetic acid
CID 61017597
4-(aminomethyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119333445
N-[4-[(dimethylamino)methyl]phenyl]-4-iodobenzamide
CID 31416592
4-amino-N-(1-ethylpyrazol-4-yl)benzamide
CID 43543193
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
4-[(dimethylamino)methyl]-N-thiophen-3-ylbenzamide
CID 142775988
N,N-dimethyl-2-[4-[(3-propan-2-ylphenyl)carbamoylamino]pyrazol-1-yl]acetamide
CID 56793742
4-ethoxy-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400060

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide (CID 136522886) is 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is CN(C)Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is GLZLXBBTAQXUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20(2)10-13-5-7-14(8-6-13)17(24)19-15-9-18-22(11-15)12-16(23)21(3)4/h5-9,11H,10,12H2,1-4H3,(H,19,24).
What are the key properties of 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide?
4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 136522886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).