3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide

C16H20ClN5O3 — CID 135431463

IUPAC3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1N1CCNCC1
InChIInChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21)
InChIKeySORAKBHHTGVZCS-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.30
Rot. Bonds4

About 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide

3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 135431463) has the molecular formula C16H20ClN5O3 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide
PubChem CID135431463
Molecular FormulaC16H20ClN5O3
Molecular Weight365.82 g/mol
Exact Mass365.13
IUPAC Name3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide
SMILESCCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1N1CCNCC1
InChIInChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21)
InChIKeySORAKBHHTGVZCS-UHFFFAOYSA-N
XLogP1.30
TPSA113.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.30
H-Bond Donors ≤ 55
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
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-[(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
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
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-{3-[({[2-(trifluoromethyl)phenyl]methyl}amino)methyl]phenyl}-1H-pyrazole-5-carboxamide
CID 135749926
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(3-{[(2-methoxyethyl)amino]methyl}phenyl)-1H-pyrazole-5-carboxamide
CID 135749928
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-[3-({[2-(morpholin-4-yl)ethyl]amino}methyl)phenyl]-1H-pyrazole-5-carboxamide
CID 135749930
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(3-{[(2-hydroxyethyl)(methyl)amino]methyl}phenyl)-1H-pyrazole-5-carboxamide
CID 135749931

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide (CID 135431463) is 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide is CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1N1CCNCC1.
What is the InChIKey of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is SORAKBHHTGVZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O3/c1-2-19-16(25)14-15(22-5-3-18-4-6-22)13(20-21-14)9-7-10(17)12(24)8-11(9)23/h7-8,18,23-24H,2-6H2,1H3,(H,19,25)(H,20,21).
What are the key properties of 3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide?
3-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-piperazin-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 1.30, 4 rotatable bonds, 5 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-piperazin-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135431463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).