2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid

C14H22N2O2 — CID 83147790

IUPAC2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)(C(=O)O)C2CC2)n(CC)n1
InChIInChI=1S/C14H22N2O2/c1-4-11-8-12(16(5-2)15-11)9-14(3,13(17)18)10-6-7-10/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyBURWIRCTSCZGNU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.51
Rot. Bonds6

About 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid

2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid (PubChem CID 83147790) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
PubChem CID83147790
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)(C(=O)O)C2CC2)n(CC)n1
InChIInChI=1S/C14H22N2O2/c1-4-11-8-12(16(5-2)15-11)9-14(3,13(17)18)10-6-7-10/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyBURWIRCTSCZGNU-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899899
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-methylpropan-1-amine
CID 83160038
2-cyclohexyl-1-(1,3-diethylpyrazol-5-yl)propan-2-ol
CID 114794994
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
2-[(1,3-diethylpyrazol-5-yl)methyl]cyclohexane-1-carboxylic acid
CID 81008075
2-(1,3-diethylpyrazol-5-yl)-1-pyrrolidin-2-ylethanone
CID 116547487
5-[2,2-bis(bromomethyl)butyl]-1,3-diethylpyrazole
CID 79455390
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566711
1-[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797283
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
4-(cyclopropylamino)-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116559398
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid?
The IUPAC name of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid (CID 83147790) is 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid is CCc1cc(CC(C)(C(=O)O)C2CC2)n(CC)n1.
What is the InChIKey of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid?
The InChIKey is BURWIRCTSCZGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-8-12(16(5-2)15-11)9-14(3,13(17)18)10-6-7-10/h8,10H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid?
2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(1,3-diethylpyrazol-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83147790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).