3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

C23H25ClN4O4 — CID 135749924

IUPAC3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H25ClN4O4/c1-2-25-23(31)22-20(21(26-27-22)16-11-17(24)19(30)12-18(16)29)15-5-3-4-14(10-15)13-28-6-8-32-9-7-28/h3-5,10-12,29-30H,2,6-9,13H2,1H3,(H,25,31)(H,26,27)
InChIKeyVKCVWIQVZOTIMF-UHFFFAOYSA-N
MW456.93 g/mol
LogP3.39
Rot. Bonds6

About 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 135749924) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID135749924
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC Name3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CN2CCOCC2)c1
InChIInChI=1S/C23H25ClN4O4/c1-2-25-23(31)22-20(21(26-27-22)16-11-17(24)19(30)12-18(16)29)15-5-3-4-14(10-15)13-28-6-8-32-9-7-28/h3-5,10-12,29-30H,2,6-9,13H2,1H3,(H,25,31)(H,26,27)
InChIKeyVKCVWIQVZOTIMF-UHFFFAOYSA-N
XLogP3.39
TPSA110.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 4369536
3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135499841
N-Isopropyl-3-(5-Chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 135507483
3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 135524913
5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-YL-1H-pyrazole-3-carboxamide
CID 135431463
3-(5-chloro-2,4-dihydroxyphenyl)-4-{4-[(diethylamino)methyl]phenyl}-N-ethyl-1H-pyrazole-5-carboxamide
CID 135749917
N-({4-[3-(5-chloro-2,4-dihydroxyphenyl)-5-(ethylcarbamoyl)-1H-pyrazol-4-yl]phenyl}methyl)-1-methylpiperidine-3-carboxamide
CID 135749918
Pyrazole, 19c
CID 135749919
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 135749921
4-(4-{[bis(2-hydroxyethyl)amino]methyl}phenyl)-3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
CID 135749923
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(piperidin-1-yl)ethyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide
CID 135749925
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[({[2-(trifluoromethyl)phenyl]methyl}amino)methyl]phenyl}-1H-pyrazole-5-carboxamide
CID 135749926

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 135749924) is 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CN2CCOCC2)c1.
What is the InChIKey of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VKCVWIQVZOTIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-2-25-23(31)22-20(21(26-27-22)16-11-17(24)19(30)12-18(16)29)15-5-3-4-14(10-15)13-28-6-8-32-9-7-28/h3-5,10-12,29-30H,2,6-9,13H2,1H3,(H,25,31)(H,26,27).
What are the key properties of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 456.93 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135749924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).