2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid

C15H16FN3O3 — CID 75417905

IUPAC2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCc1c(C(=O)NC(C)(C)C(=O)O)cnn1-c1ccccc1F
InChIInChI=1S/C15H16FN3O3/c1-9-10(13(20)18-15(2,3)14(21)22)8-17-19(9)12-7-5-4-6-11(12)16/h4-8H,1-3H3,(H,18,20)(H,21,22)
InChIKeyVPADIHCOININOX-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.91
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid

2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 75417905) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID75417905
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCc1c(C(=O)NC(C)(C)C(=O)O)cnn1-c1ccccc1F
InChIInChI=1S/C15H16FN3O3/c1-9-10(13(20)18-15(2,3)14(21)22)8-17-19(9)12-7-5-4-6-11(12)16/h4-8H,1-3H3,(H,18,20)(H,21,22)
InChIKeyVPADIHCOININOX-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
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
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
N'-(2,5-dimethylfuran-3-carbonyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33481092
1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-methylpyrazole-4-carboxamide
CID 134026230
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid (CID 75417905) is 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid is Cc1c(C(=O)NC(C)(C)C(=O)O)cnn1-c1ccccc1F.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is VPADIHCOININOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9-10(13(20)18-15(2,3)14(21)22)8-17-19(9)12-7-5-4-6-11(12)16/h4-8H,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid?
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 305.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 75417905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).