1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide

C20H27N5O3 — CID 110305501

IUPAC1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)NCCN3CCOCC3)nn2C)cc1
InChIInChI=1S/C20H27N5O3/c1-15-3-5-16(6-4-15)18-13-17(23-24(18)2)20(27)22-14-19(26)21-7-8-25-9-11-28-12-10-25/h3-6,13H,7-12,14H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyPZSCIELYCYKWGK-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.57
Rot. Bonds7

About 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide

1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide (PubChem CID 110305501) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
PubChem CID110305501
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC(=O)NCCN3CCOCC3)nn2C)cc1
InChIInChI=1S/C20H27N5O3/c1-15-3-5-16(6-4-15)18-13-17(23-24(18)2)20(27)22-14-19(26)21-7-8-25-9-11-28-12-10-25/h3-6,13H,7-12,14H2,1-2H3,(H,21,26)(H,22,27)
InChIKeyPZSCIELYCYKWGK-UHFFFAOYSA-N
XLogP0.57
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 110336758
1-methyl-5-[2-(4-methylphenyl)ethynyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 46847550
1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 66988766
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
3-(4-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016587
5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-2-N-(2-morpholin-4-ylethyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46279011
1-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86933154
4-methyl-4-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pentanamide
CID 110305480
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 4582591
6-methyl-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 142825868
5-bromo-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]furan-2-carboxamide
CID 51163910

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide (CID 110305501) is 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC(=O)NCCN3CCOCC3)nn2C)cc1.
What is the InChIKey of 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide?
The InChIKey is PZSCIELYCYKWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-3-5-16(6-4-15)18-13-17(23-24(18)2)20(27)22-14-19(26)21-7-8-25-9-11-28-12-10-25/h3-6,13H,7-12,14H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide?
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 110305501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).