1-cycloheptyl-5-propylpyrazole-4-carboxylic acid

C14H22N2O2 — CID 61272610

IUPAC1-cycloheptyl-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1C1CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-7-13-12(14(17)18)10-15-16(13)11-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyLHSCJHSPESGDDR-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.43
Rot. Bonds4

About 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid

1-cycloheptyl-5-propylpyrazole-4-carboxylic acid (PubChem CID 61272610) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cycloheptyl-5-propylpyrazole-4-carboxylic acid
PubChem CID61272610
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-cycloheptyl-5-propylpyrazole-4-carboxylic acid
SMILESCCCc1c(C(=O)O)cnn1C1CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-2-7-13-12(14(17)18)10-15-16(13)11-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyLHSCJHSPESGDDR-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid?
The IUPAC name of 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid (CID 61272610) is 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid is CCCc1c(C(=O)O)cnn1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid?
The InChIKey is LHSCJHSPESGDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-7-13-12(14(17)18)10-15-16(13)11-8-5-3-4-6-9-11/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid?
1-cycloheptyl-5-propylpyrazole-4-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-5-propylpyrazole-4-carboxylic acid is sourced from PubChem (CID 61272610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).