2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid

C17H27N3O3 — CID 72897706

IUPAC2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCCc1cc(C(=O)N(CC(=O)O)C2CCCCCC2)n(C)n1
InChIInChI=1S/C17H27N3O3/c1-3-8-13-11-15(19(2)18-13)17(23)20(12-16(21)22)14-9-6-4-5-7-10-14/h11,14H,3-10,12H2,1-2H3,(H,21,22)
InChIKeyRKEHMDMXFAXZDR-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.62
Rot. Bonds6

About 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid

2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid (PubChem CID 72897706) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid
PubChem CID72897706
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCCc1cc(C(=O)N(CC(=O)O)C2CCCCCC2)n(C)n1
InChIInChI=1S/C17H27N3O3/c1-3-8-13-11-15(19(2)18-13)17(23)20(12-16(21)22)14-9-6-4-5-7-10-14/h11,14H,3-10,12H2,1-2H3,(H,21,22)
InChIKeyRKEHMDMXFAXZDR-UHFFFAOYSA-N
XLogP2.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid (CID 72897706) is 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid is CCCc1cc(C(=O)N(CC(=O)O)C2CCCCCC2)n(C)n1.
What is the InChIKey of 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid?
The InChIKey is RKEHMDMXFAXZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-8-13-11-15(19(2)18-13)17(23)20(12-16(21)22)14-9-6-4-5-7-10-14/h11,14H,3-10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid?
2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid has a molecular weight of 321.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl-(1-methyl-3-propylpyrazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 72897706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).