3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid

C10H15FN2O2 — CID 84680330

IUPAC3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid
SMILESCC(C)(CN1C(=CC=N1)CCC(=O)O)F
InChIInChI=1S/C10H15FN2O2/c1-10(2,11)7-13-8(5-6-12-13)3-4-9(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySVCGCHUYIYMSKQ-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.90
Rot. Bonds5

About 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid

3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid (PubChem CID 84680330) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid
PubChem CID84680330
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid
SMILESCC(C)(CN1C(=CC=N1)CCC(=O)O)F
InChIInChI=1S/C10H15FN2O2/c1-10(2,11)7-13-8(5-6-12-13)3-4-9(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeySVCGCHUYIYMSKQ-UHFFFAOYSA-N
XLogP0.90
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity233

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
(1-methyl-1H-pyrazol-3-yl)acetic acid
CID 13374526
3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
3-(1-methyl-1H-pyrazol-5-yl)propanoic acid
CID 19622632
3-(4-Bromo-1-methyl-1H-pyrazol-5-YL)propanoic acid
CID 19622634
2-(1-Isopropyl-1H-pyrazol-5-yl)acetic acid
CID 50896683
2-(1-methyl-1H-pyrazol-5-yl)acetic acid
CID 50896807
3-(1,3-dimethyl-1H-pyrazol-5-yl)propanoic acid
CID 65876516
4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 83680740
2-(1-ethyl-1H-pyrazol-3-yl)acetic acid
CID 25248194
2-(1-cyclopentyl-1H-pyrazol-5-yl)acetic acid
CID 60136567

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid?
The IUPAC name of 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid (CID 84680330) is 3-[2-(2-fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid is CC(C)(CN1C(=CC=N1)CCC(=O)O)F.
What is the InChIKey of 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid?
The InChIKey is SVCGCHUYIYMSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-10(2,11)7-13-8(5-6-12-13)3-4-9(14)15/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid?
3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid has a molecular weight of 214.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-Fluoro-2-methylpropyl)pyrazol-3-yl]propanoic acid is sourced from PubChem (CID 84680330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).