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

C17H22N4O2 — CID 121419957

IUPAC4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C17H22N4O2/c1-14-2-4-15(5-3-14)17(22)19-16-12-18-21(13-16)7-6-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,22)
InChIKeyQFMHULISUORNSP-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.78
Rot. Bonds5

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

4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (PubChem CID 121419957) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
PubChem CID121419957
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
SMILESCc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1
InChIInChI=1S/C17H22N4O2/c1-14-2-4-15(5-3-14)17(22)19-16-12-18-21(13-16)7-6-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,22)
InChIKeyQFMHULISUORNSP-UHFFFAOYSA-N
XLogP1.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
4-(methylsulfonylmethyl)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523477
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
2-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 167752336
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-(2-methoxynaphthalen-1-yl)-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 167927281
4-methyl-N-[3-[(2-morpholin-4-ylethylamino)methyl]phenyl]benzamide
CID 31136249

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide (CID 121419957) is 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is Cc1ccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
The InChIKey is QFMHULISUORNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14-2-4-15(5-3-14)17(22)19-16-12-18-21(13-16)7-6-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,22).
What are the key properties of 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide?
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 121419957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).