5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide

C19H25N5O3 — CID 78861625

IUPAC5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C19H25N5O3/c1-3-14-12-17(22-21-14)19(26)23(2)13-18(25)20-15-4-6-16(7-5-15)24-8-10-27-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyAMEZHGXESWZSAI-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.52
Rot. Bonds6

About 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide (PubChem CID 78861625) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
PubChem CID78861625
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n[nH]1
InChIInChI=1S/C19H25N5O3/c1-3-14-12-17(22-21-14)19(26)23(2)13-18(25)20-15-4-6-16(7-5-15)24-8-10-27-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyAMEZHGXESWZSAI-UHFFFAOYSA-N
XLogP1.52
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 25488160
N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 7551211
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-3-(propanoylamino)benzamide
CID 55833793
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 4820768
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 55328408
N,1,3-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582206
3-acetamido-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 9409522
1-(4-fluorophenyl)-N,3,5-trimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 55380653
3-(diethylsulfamoyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328562
N,2-dimethyl-5-methylsulfonyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55328411

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide (CID 78861625) is 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)n[nH]1.
What is the InChIKey of 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is AMEZHGXESWZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-14-12-17(22-21-14)19(26)23(2)13-18(25)20-15-4-6-16(7-5-15)24-8-10-27-11-9-24/h4-7,12H,3,8-11,13H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78861625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).