5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C26H32ClN5O3 — CID 126726034

IUPAC5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C26H32ClN5O3/c1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32/h5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31)/t16-,17+
InChIKeyORWODEXYOMKYPL-CALCHBBNSA-N
MW498.03 g/mol
LogP4.30
Rot. Bonds7

About 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 126726034) has the molecular formula C26H32ClN5O3 and a molecular weight of 498.03 g/mol. Its IUPAC name is 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID126726034
Molecular FormulaC26H32ClN5O3
Molecular Weight498.03 g/mol
Exact Mass497.22
IUPAC Name5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C26H32ClN5O3/c1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32/h5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31)/t16-,17+
InChIKeyORWODEXYOMKYPL-CALCHBBNSA-N
XLogP4.30
TPSA116.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.03
LogP ≤ 54.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 126726034) is 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)c(Cl)c3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is ORWODEXYOMKYPL-CALCHBBNSA-N. The full InChI is InChI=1S/C26H32ClN5O3/c1-14-7-19(8-15(2)24(14)33)11-29-26-23(25(28)34)21(30-31-26)10-18-5-6-22(20(27)9-18)32-12-16(3)35-17(4)13-32/h5-9,16-17,33H,10-13H2,1-4H3,(H2,28,34)(H2,29,30,31)/t16-,17+.
What are the key properties of 5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[[3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 498.03 g/mol, XLogP of 4.30, 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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126726034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).