4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid

C10H16N2O2 — CID 83879906

IUPAC4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid
SMILESCC(C)(C)C(CC(=O)O)c1cn[nH]c1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(4-9(13)14)7-5-11-12-6-7/h5-6,8H,4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyAOKPVMQUHVDVAK-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.01
Rot. Bonds3

About 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid

4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid (PubChem CID 83879906) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid
PubChem CID83879906
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid
SMILESCC(C)(C)C(CC(=O)O)c1cn[nH]c1
InChIInChI=1S/C10H16N2O2/c1-10(2,3)8(4-9(13)14)7-5-11-12-6-7/h5-6,8H,4H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyAOKPVMQUHVDVAK-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid?
The IUPAC name of 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid (CID 83879906) is 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid is CC(C)(C)C(CC(=O)O)c1cn[nH]c1.
What is the InChIKey of 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid?
The InChIKey is AOKPVMQUHVDVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)8(4-9(13)14)7-5-11-12-6-7/h5-6,8H,4H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid?
4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid has a molecular weight of 196.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(1H-pyrazol-4-yl)pentanoic acid is sourced from PubChem (CID 83879906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).