5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C24H28ClN5O3 — CID 157227218

IUPAC5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C24H28ClN5O3/c1-14-9-17(10-15(2)22(14)31)13-27-24-21(23(26)32)19(28-29-24)12-16-3-4-20(18(25)11-16)30-5-7-33-8-6-30/h3-4,9-11,31H,5-8,12-13H2,1-2H3,(H2,26,32)(H2,27,28,29)
InChIKeyATRIRCVWWUWKJU-UHFFFAOYSA-N
MW469.97 g/mol
LogP3.52
Rot. Bonds7

About 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 157227218) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID157227218
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C24H28ClN5O3/c1-14-9-17(10-15(2)22(14)31)13-27-24-21(23(26)32)19(28-29-24)12-16-3-4-20(18(25)11-16)30-5-7-33-8-6-30/h3-4,9-11,31H,5-8,12-13H2,1-2H3,(H2,26,32)(H2,27,28,29)
InChIKeyATRIRCVWWUWKJU-UHFFFAOYSA-N
XLogP3.52
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 53.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410180
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-(3-fluoro-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
CID 146526837
5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 146730932
5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 148348112
5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 153226201
5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 158621109
5-(3-chloro-4-morpholin-4-ylanilino)-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 89815611
5-(3-chloroanilino)-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 89903489
5-((4-hydroxy-3,5-dimethylbenzyl)amino)-3-((4-(morpholinomethyl)phenyl)amino)-1H-pyrazole-4-carboxamide
CID 121410155
3-((3-chloro-4-((2S,6R)-2,6-dimethylmorpholino)phenyl)amino)-5-((4-hydroxy-3,5-dimethylbenzyl)amino)-1H-pyrazole-4-carboxamide
CID 121410168
5-[4-(2,6-dimethylmorpholin-4-yl)anilino]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 121410171
5-[3-chloro-4-(2,6-dimethylmorpholin-4-yl)anilino]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 121410191

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 157227218) is 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)c(Cl)c3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is ATRIRCVWWUWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-14-9-17(10-15(2)22(14)31)13-27-24-21(23(26)32)19(28-29-24)12-16-3-4-20(18(25)11-16)30-5-7-33-8-6-30/h3-4,9-11,31H,5-8,12-13H2,1-2H3,(H2,26,32)(H2,27,28,29).
What are the key properties of 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 469.97 g/mol, XLogP of 3.52, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157227218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).