N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide

C17H22FN3O2 — CID 111596653

IUPACN-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C17H22FN3O2/c1-5-20(11-17(3,4)23)16(22)13-10-19-21(12(13)2)15-9-7-6-8-14(15)18/h6-10,23H,5,11H2,1-4H3
InChIKeyHJPBYVOAGSEQEI-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide

N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide (PubChem CID 111596653) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
PubChem CID111596653
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C17H22FN3O2/c1-5-20(11-17(3,4)23)16(22)13-10-19-21(12(13)2)15-9-7-6-8-14(15)18/h6-10,23H,5,11H2,1-4H3
InChIKeyHJPBYVOAGSEQEI-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-N,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 134047410
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521016
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
N-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103721379

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide (CID 111596653) is N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide is CCN(CC(C)(C)O)C(=O)c1cnn(-c2ccccc2F)c1C.
What is the InChIKey of N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is HJPBYVOAGSEQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-5-20(11-17(3,4)23)16(22)13-10-19-21(12(13)2)15-9-7-6-8-14(15)18/h6-10,23H,5,11H2,1-4H3.
What are the key properties of N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide?
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111596653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).