1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid

C11H18N2O2 — CID 43145815

IUPAC1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1CC(C)C
InChIInChI=1S/C11H18N2O2/c1-4-5-10-9(11(14)15)6-12-13(10)7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyWONIBCFMIHNRDA-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.19
Rot. Bonds5

About 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid

1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid (PubChem CID 43145815) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
PubChem CID43145815
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1CC(C)C
InChIInChI=1S/C11H18N2O2/c1-4-5-10-9(11(14)15)6-12-13(10)7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyWONIBCFMIHNRDA-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid (CID 43145815) is 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid?
The InChIKey is WONIBCFMIHNRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-5-10-9(11(14)15)6-12-13(10)7-8(2)3/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid?
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 43145815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).