5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane

C19H29ClN4O4 — CID 142903302

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane
SMILESCC.COCCN(C)CCCNC(=O)c1cn[nH]c1-c1cc(Cl)c(O)cc1O
InChIInChI=1S/C17H23ClN4O4.C2H6/c1-22(6-7-26-2)5-3-4-19-17(25)12-10-20-21-16(12)11-8-13(18)15(24)9-14(11)23;1-2/h8-10,23-24H,3-7H2,1-2H3,(H,19,25)(H,20,21);1-2H3
InChIKeyQVHLKRMFCVIGIM-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.87
Rot. Bonds9

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane

5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane (PubChem CID 142903302) has the molecular formula C19H29ClN4O4 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane
PubChem CID142903302
Molecular FormulaC19H29ClN4O4
Molecular Weight412.92 g/mol
Exact Mass412.19
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane
SMILESCC.COCCN(C)CCCNC(=O)c1cn[nH]c1-c1cc(Cl)c(O)cc1O
InChIInChI=1S/C17H23ClN4O4.C2H6/c1-22(6-7-26-2)5-3-4-19-17(25)12-10-20-21-16(12)11-8-13(18)15(24)9-14(11)23;1-2/h8-10,23-24H,3-7H2,1-2H3,(H,19,25)(H,20,21);1-2H3
InChIKeyQVHLKRMFCVIGIM-UHFFFAOYSA-N
XLogP2.87
TPSA110.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1H-pyrazole-4-carboxamide
CID 62850107
5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 5287470
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
5-(4-chlorophenyl)-N-(3-propan-2-yloxypropyl)-1H-pyrazole-4-carboxamide
CID 30544747
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510
N-[2-(carbamoylamino)ethyl]-5-(2-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 155951273
4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 19479455
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
1-(2-fluorophenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112822501
5-(2-fluorophenyl)-N-[3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 119432488
N-[4-(4-fluorophenoxy)butyl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78834599

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane (CID 142903302) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane is CC.COCCN(C)CCCNC(=O)c1cn[nH]c1-c1cc(Cl)c(O)cc1O.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane?
The InChIKey is QVHLKRMFCVIGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O4.C2H6/c1-22(6-7-26-2)5-3-4-19-17(25)12-10-20-21-16(12)11-8-13(18)15(24)9-14(11)23;1-2/h8-10,23-24H,3-7H2,1-2H3,(H,19,25)(H,20,21);1-2H3.
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane?
5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane has a molecular weight of 412.92 g/mol, XLogP of 2.87, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane is sourced from PubChem (CID 142903302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).