4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid

C16H19FN4O3 — CID 122078045

IUPAC4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C16H19FN4O3/c1-16(2,7-6-14(22)23)20-15(24)19-11-4-5-13(12(17)10-11)21-9-3-8-18-21/h3-5,8-10H,6-7H2,1-2H3,(H,22,23)(H2,19,20,24)
InChIKeyFAABFLVRRYTDIJ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.78
Rot. Bonds6

About 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid

4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 122078045) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID122078045
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C16H19FN4O3/c1-16(2,7-6-14(22)23)20-15(24)19-11-4-5-13(12(17)10-11)21-9-3-8-18-21/h3-5,8-10H,6-7H2,1-2H3,(H,22,23)(H2,19,20,24)
InChIKeyFAABFLVRRYTDIJ-UHFFFAOYSA-N
XLogP2.78
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-[(4-fluoro-3-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 114840334
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
4-[[3-fluoro-4-(1-propan-2-yltetrazol-5-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122089353
4-methyl-4-[(1-methyl-2-oxo-3H-indol-5-yl)carbamoylamino]pentanoic acid
CID 122092019
4-[[3-fluoro-4-(morpholine-4-carbonyl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122090760
4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
CID 122077598
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119859368
4-methyl-4-[(2-methyl-1-oxoisoquinolin-7-yl)carbamoylamino]pentanoic acid
CID 122093137
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylcarbamoylamino)pentanoic acid
CID 122094608

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid (CID 122078045) is 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is FAABFLVRRYTDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-16(2,7-6-14(22)23)20-15(24)19-11-4-5-13(12(17)10-11)21-9-3-8-18-21/h3-5,8-10H,6-7H2,1-2H3,(H,22,23)(H2,19,20,24).
What are the key properties of 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid?
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 334.35 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122078045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).