2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid

C16H18FN3O3 — CID 119191859

IUPAC2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)O
InChIInChI=1S/C16H18FN3O3/c1-3-9-16(2,15(22)23)18-14(21)12-8-10-20(19-12)13-7-5-4-6-11(13)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyDLNRMSKEZHYKCY-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.38
Rot. Bonds6

About 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid

2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 119191859) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid
PubChem CID119191859
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)O
InChIInChI=1S/C16H18FN3O3/c1-3-9-16(2,15(22)23)18-14(21)12-8-10-20(19-12)13-7-5-4-6-11(13)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyDLNRMSKEZHYKCY-UHFFFAOYSA-N
XLogP2.38
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
2-methyl-2-[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 119192092
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
1-(2-aminophenyl)-N-(3-methylpentan-3-yl)pyrazole-3-carboxamide
CID 106327801
2-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43618915
2-cyclopropyl-2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119213154
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
CID 97241766
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid (CID 119191859) is 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)c1ccn(-c2ccccc2F)n1)C(=O)O.
What is the InChIKey of 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is DLNRMSKEZHYKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c1-3-9-16(2,15(22)23)18-14(21)12-8-10-20(19-12)13-7-5-4-6-11(13)17/h4-8,10H,3,9H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid?
2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 319.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 119191859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).