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

C23H27ClN4O3 — CID 135749917

IUPAC3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C23H27ClN4O3/c1-4-25-23(31)22-20(15-9-7-14(8-10-15)13-28(5-2)6-3)21(26-27-22)16-11-17(24)19(30)12-18(16)29/h7-12,29-30H,4-6,13H2,1-3H3,(H,25,31)(H,26,27)
InChIKeyNWYHNGNGYBSXMA-UHFFFAOYSA-N
MW442.95 g/mol
LogP4.40
Rot. Bonds8

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

3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide (PubChem CID 135749917) has the molecular formula C23H27ClN4O3 and a molecular weight of 442.95 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide
PubChem CID135749917
Molecular FormulaC23H27ClN4O3
Molecular Weight442.95 g/mol
Exact Mass442.18
IUPAC Name3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C23H27ClN4O3/c1-4-25-23(31)22-20(15-9-7-14(8-10-15)13-28(5-2)6-3)21(26-27-22)16-11-17(24)19(30)12-18(16)29/h7-12,29-30H,4-6,13H2,1-3H3,(H,25,31)(H,26,27)
InChIKeyNWYHNGNGYBSXMA-UHFFFAOYSA-N
XLogP4.40
TPSA101.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.95
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-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

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)-N-[(4-acetylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 135749916
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-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 135749924
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(piperidin-1-yl)ethyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide
CID 135749925

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide (CID 135749917) is 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide is CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1.
What is the InChIKey of 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide?
The InChIKey is NWYHNGNGYBSXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O3/c1-4-25-23(31)22-20(15-9-7-14(8-10-15)13-28(5-2)6-3)21(26-27-22)16-11-17(24)19(30)12-18(16)29/h7-12,29-30H,4-6,13H2,1-3H3,(H,25,31)(H,26,27).
What are the key properties of 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide?
3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide has a molecular weight of 442.95 g/mol, XLogP of 4.40, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2,4-dihydroxyphenyl)-4-[4-(diethylaminomethyl)phenyl]-N-ethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135749917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).