2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid

C10H16N2O2 — CID 96622066

IUPAC2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid
SMILESCC(C)(C)Cc1cn[nH]c1CC(=O)O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)5-7-6-11-12-8(7)4-9(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLOYKGRBQQYRGNT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.63
Rot. Bonds3

About 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid

2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid (PubChem CID 96622066) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid
PubChem CID96622066
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid
SMILESCC(C)(C)Cc1cn[nH]c1CC(=O)O
InChIInChI=1S/C10H16N2O2/c1-10(2,3)5-7-6-11-12-8(7)4-9(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLOYKGRBQQYRGNT-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 132353812
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CID 155943302
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CID 22367851
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CID 118309373

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid (CID 96622066) is 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid is CC(C)(C)Cc1cn[nH]c1CC(=O)O.
What is the InChIKey of 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid?
The InChIKey is LOYKGRBQQYRGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)5-7-6-11-12-8(7)4-9(13)14/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid?
2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid has a molecular weight of 196.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethylpropyl)-1H-pyrazol-5-yl]acetic acid is sourced from PubChem (CID 96622066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).