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

C19H27N5O2 — CID 136523458

IUPAC4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C19H27N5O2/c1-22(2)14-16-3-5-17(6-4-16)19(25)21-18-13-20-24(15-18)8-7-23-9-11-26-12-10-23/h3-6,13,15H,7-12,14H2,1-2H3,(H,21,25)
InChIKeyDBVAKEJEAKDMHC-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.53
Rot. Bonds7

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

4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (PubChem CID 136523458) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
PubChem CID136523458
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESCN(C)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C19H27N5O2/c1-22(2)14-16-3-5-17(6-4-16)19(25)21-18-13-20-24(15-18)8-7-23-9-11-26-12-10-23/h3-6,13,15H,7-12,14H2,1-2H3,(H,21,25)
InChIKeyDBVAKEJEAKDMHC-UHFFFAOYSA-N
XLogP1.53
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-[(dimethylamino)methyl]-N-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 136522886
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 167752336
N-(4-acetylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 5132306
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
3,4-dichloro-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]benzamide
CID 49088730
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (CID 136523458) is 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is CN(C)Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The InChIKey is DBVAKEJEAKDMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22(2)14-16-3-5-17(6-4-16)19(25)21-18-13-20-24(15-18)8-7-23-9-11-26-12-10-23/h3-6,13,15H,7-12,14H2,1-2H3,(H,21,25).
What are the key properties of 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide has a molecular weight of 357.46 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 136523458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).