5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide

C21H23N3O2 — CID 124730536

IUPAC5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESC[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C21H23N3O2/c1-15(12-17-8-10-19(25)11-9-17)24(2)21(26)20-14-18(22-23-20)13-16-6-4-3-5-7-16/h3-11,14-15,25H,12-13H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyHPZSTLPVMOLQES-OAHLLOKOSA-N
MW349.43 g/mol
LogP3.41
Rot. Bonds6

About 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide

5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 124730536) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID124730536
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESC[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(Cc2ccccc2)[nH]n1
InChIInChI=1S/C21H23N3O2/c1-15(12-17-8-10-19(25)11-9-17)24(2)21(26)20-14-18(22-23-20)13-16-6-4-3-5-7-16/h3-11,14-15,25H,12-13H2,1-2H3,(H,22,23)/t15-/m1/s1
InChIKeyHPZSTLPVMOLQES-OAHLLOKOSA-N
XLogP3.41
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 95207016
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CID 115093007
N-[1-(4-chlorophenyl)propan-2-yl]-N-methyl-2H-triazole-4-carboxamide
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5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
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CID 167430953
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 24674354
5-[(4-methoxyphenyl)methyl]-N-phenyl-1H-pyrazole-3-carboxamide
CID 154693152
1-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]ethanone
CID 115093128
azepan-1-yl-(5-benzyl-1H-pyrazol-3-yl)methanone
CID 169082729

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide (CID 124730536) is 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide is C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cc(Cc2ccccc2)[nH]n1.
What is the InChIKey of 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is HPZSTLPVMOLQES-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15(12-17-8-10-19(25)11-9-17)24(2)21(26)20-14-18(22-23-20)13-16-6-4-3-5-7-16/h3-11,14-15,25H,12-13H2,1-2H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide?
5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 124730536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).