4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C24H29N5O2 — CID 92627792

IUPAC4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3N)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O2/c1-17-3-5-19(6-4-17)22(28-11-13-31-14-12-28)16-26-24(30)20-7-9-21(10-8-20)29-23(25)15-18(2)27-29/h3-10,15,22H,11-14,16,25H2,1-2H3,(H,26,30)/t22-/m0/s1
InChIKeyDDIMGGBBHNAECP-QFIPXVFZSA-N
MW419.53 g/mol
LogP2.87
Rot. Bonds6

About 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 92627792) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID92627792
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3N)cc2)N2CCOCC2)cc1
InChIInChI=1S/C24H29N5O2/c1-17-3-5-19(6-4-17)22(28-11-13-31-14-12-28)16-26-24(30)20-7-9-21(10-8-20)29-23(25)15-18(2)27-29/h3-10,15,22H,11-14,16,25H2,1-2H3,(H,26,30)/t22-/m0/s1
InChIKeyDDIMGGBBHNAECP-QFIPXVFZSA-N
XLogP2.87
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
CID 119946754
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460638

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 92627792) is 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc([C@H](CNC(=O)c2ccc(-n3nc(C)cc3N)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is DDIMGGBBHNAECP-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-3-5-19(6-4-17)22(28-11-13-31-14-12-28)16-26-24(30)20-7-9-21(10-8-20)29-23(25)15-18(2)27-29/h3-10,15,22H,11-14,16,25H2,1-2H3,(H,26,30)/t22-/m0/s1.
What are the key properties of 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-methylpyrazol-1-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 92627792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).