N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

C18H25N3O4S — CID 99818301

IUPACN-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O
InChIInChI=1S/C18H25N3O4S/c1-5-26(24,25)11-13(4)19-18(23)17-16(22)10-21(20-17)15-8-6-7-14(9-15)12(2)3/h6-10,12-13,22H,5,11H2,1-4H3,(H,19,23)/t13-/m1/s1
InChIKeyOGOZNCMBZGZNNV-CYBMUJFWSA-N
MW379.48 g/mol
LogP2.25
Rot. Bonds7

About N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide

N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 99818301) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID99818301
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC NameN-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCCS(=O)(=O)C[C@@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O
InChIInChI=1S/C18H25N3O4S/c1-5-26(24,25)11-13(4)19-18(23)17-16(22)10-21(20-17)15-8-6-7-14(9-15)12(2)3/h6-10,12-13,22H,5,11H2,1-4H3,(H,19,23)/t13-/m1/s1
InChIKeyOGOZNCMBZGZNNV-CYBMUJFWSA-N
XLogP2.25
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 99818301) is N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is CCS(=O)(=O)C[C@@H](C)NC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O.
What is the InChIKey of N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is OGOZNCMBZGZNNV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-5-26(24,25)11-13(4)19-18(23)17-16(22)10-21(20-17)15-8-6-7-14(9-15)12(2)3/h6-10,12-13,22H,5,11H2,1-4H3,(H,19,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide?
N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-ethylsulfonylpropan-2-yl]-4-hydroxy-1-(3-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 99818301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).