3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

C9H14N2O2 — CID 23005990

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
SMILESCc1n[nH]c(C)c1CC(C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-5(9(12)13)4-8-6(2)10-11-7(8)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyZJCNNCJYWFIMQY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds3

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid

3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid (PubChem CID 23005990) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
PubChem CID23005990
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid
SMILESCc1n[nH]c(C)c1CC(C)C(=O)O
InChIInChI=1S/C9H14N2O2/c1-5(9(12)13)4-8-6(2)10-11-7(8)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyZJCNNCJYWFIMQY-UHFFFAOYSA-N
XLogP1.29
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 776058
butyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 1934835
ethyl 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 3410253
3-(3, 5-dimethyl-1H-pyrazol-4-yl) propan-1-ol
CID 105430140
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 23005836
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
2-(3,5-diethyl-1H-pyrazol-4-yl)acetic acid
CID 50987854
3-methyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 73357524
2-{1H,4H,5H,6H-cyclopenta[c]pyrazol-3-yl}acetic acid
CID 83858867
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid
CID 71756824
2-[3-(Trifluoromethyl)-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-4-yl]acetic acid
CID 71185301
3-fluoro-3-(5-methyl-1H-pyrazol-4-yl)butanoic acid
CID 83817535

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid (CID 23005990) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid is Cc1n[nH]c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
The InChIKey is ZJCNNCJYWFIMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-5(9(12)13)4-8-6(2)10-11-7(8)3/h5H,4H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylpropanoic acid is sourced from PubChem (CID 23005990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).