bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid

C34H46N8O8S — CID 175814665

IUPACbis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C.CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C.O=S(=O)(O)O
InChIInChI=1S/2C17H22N4O2.H2O4S/c2*1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15;1-5(2,3)4/h2*4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21);(H2,1,2,3,4)/t2*15-;/m11./s1
InChIKeyOIJARRGZBBFEIJ-QQPYHFHTSA-N
MW726.86 g/mol
LogP3.73
Rot. Bonds8

About bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid

bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid (PubChem CID 175814665) has the molecular formula C34H46N8O8S and a molecular weight of 726.86 g/mol. Its IUPAC name is bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid.

Molecular Properties

Compound Namebis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
PubChem CID175814665
Molecular FormulaC34H46N8O8S
Molecular Weight726.86 g/mol
Exact Mass726.32
IUPAC Namebis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid
SMILESCCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C.CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C.O=S(=O)(O)O
InChIInChI=1S/2C17H22N4O2.H2O4S/c2*1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15;1-5(2,3)4/h2*4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21);(H2,1,2,3,4)/t2*15-;/m11./s1
InChIKeyOIJARRGZBBFEIJ-QQPYHFHTSA-N
XLogP3.73
TPSA232.68 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.86
LogP ≤ 53.73
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid 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

5-cyclopropyl-4-methyl-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 164898264
4-methyl-N-(4-morpholin-2-ylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 164898260
(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 130429737
2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 170722933
5-ethyl-4-fluoro-N-[6-[(2S)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118485076
N-[4-(azetidin-3-yloxy)phenyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
CID 118903664
5-ethyl-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 175873849
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
5-butyl-4-fluoro-N-(6-morpholin-2-yl-3-pyridinyl)-1H-pyrazole-3-carboxamide
CID 118484989
4-chloro-5-methyl-N-[6-[(2R)-morpholin-2-yl]-3-pyridinyl]-1H-pyrazole-3-carboxamide
CID 118484454
4-chloro-2-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 130184022
3-(4-chlorophenyl)-N-(4-morpholin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 71087529

Frequently Asked Questions

What is the IUPAC name of bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid?
The IUPAC name of bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid (CID 175814665) is bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid.
What is the SMILES notation for bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid?
The canonical SMILES for bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid is CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C.CCc1[nH]nc(C(=O)Nc2ccc([C@H]3CNCCO3)cc2)c1C.O=S(=O)(O)O.
What is the InChIKey of bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid?
The InChIKey is OIJARRGZBBFEIJ-QQPYHFHTSA-N. The full InChI is InChI=1S/2C17H22N4O2.H2O4S/c2*1-3-14-11(2)16(21-20-14)17(22)19-13-6-4-12(5-7-13)15-10-18-8-9-23-15;1-5(2,3)4/h2*4-7,15,18H,3,8-10H2,1-2H3,(H,19,22)(H,20,21);(H2,1,2,3,4)/t2*15-;/m11./s1.
What are the key properties of bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid?
bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid has a molecular weight of 726.86 g/mol, XLogP of 3.73, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-ethyl-4-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-3-carboxamide);sulfuric acid is sourced from PubChem (CID 175814665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).