N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C19H25N3O3 — CID 136696811

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C19H25N3O3/c1-4-22(14-9-10-25-19(2,3)12-14)18(24)17-11-16(20-21-17)13-5-7-15(23)8-6-13/h5-8,11,14,23H,4,9-10,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyZBNGOPZKDMGTQM-AWEZNQCLSA-N
MW343.43 g/mol
LogP3.20
Rot. Bonds4

About N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 136696811) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID136696811
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C19H25N3O3/c1-4-22(14-9-10-25-19(2,3)12-14)18(24)17-11-16(20-21-17)13-5-7-15(23)8-6-13/h5-8,11,14,23H,4,9-10,12H2,1-3H3,(H,20,21)/t14-/m0/s1
InChIKeyZBNGOPZKDMGTQM-AWEZNQCLSA-N
XLogP3.20
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-N-ethyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70725369
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 51114006
N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 52532535
N-(2,2-dimethyloxan-4-yl)-N-ethyl-1H-indole-5-carboxamide
CID 126810790
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147169
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
N-(2,2-dimethyloxan-4-yl)-N-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazine-7-carboxamide
CID 154759117
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
CID 95728897
N-(oxan-4-yl)-3-phenyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 90554656
N-(2,2-dimethyloxan-4-yl)-N-ethyl-4-(propylsulfamoyl)benzamide
CID 135119424
3-(4-chlorophenyl)-1-[(4S)-2,2-dimethyloxan-4-yl]-1-ethylurea
CID 97444759

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 136696811) is N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide is CCN(C(=O)c1cc(-c2ccc(O)cc2)n[nH]1)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZBNGOPZKDMGTQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-22(14-9-10-25-19(2,3)12-14)18(24)17-11-16(20-21-17)13-5-7-15(23)8-6-13/h5-8,11,14,23H,4,9-10,12H2,1-3H3,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136696811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).