3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid

C19H23N3O2 — CID 25126196

IUPAC3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid
SMILESCCc1nn(CCC(=O)O)c(CC)c1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H23N3O2/c1-3-16-15(18(4-2)22(21-16)10-8-19(23)24)12-13-5-6-17-14(11-13)7-9-20-17/h5-7,9,11,20H,3-4,8,10,12H2,1-2H3,(H,23,24)
InChIKeyGTFZZGODCPOSSR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.55
Rot. Bonds7

About 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid

3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid (PubChem CID 25126196) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid
PubChem CID25126196
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid
SMILESCCc1nn(CCC(=O)O)c(CC)c1Cc1ccc2[nH]ccc2c1
InChIInChI=1S/C19H23N3O2/c1-3-16-15(18(4-2)22(21-16)10-8-19(23)24)12-13-5-6-17-14(11-13)7-9-20-17/h5-7,9,11,20H,3-4,8,10,12H2,1-2H3,(H,23,24)
InChIKeyGTFZZGODCPOSSR-UHFFFAOYSA-N
XLogP3.55
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid (CID 25126196) is 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid is CCc1nn(CCC(=O)O)c(CC)c1Cc1ccc2[nH]ccc2c1.
What is the InChIKey of 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is GTFZZGODCPOSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-16-15(18(4-2)22(21-16)10-8-19(23)24)12-13-5-6-17-14(11-13)7-9-20-17/h5-7,9,11,20H,3-4,8,10,12H2,1-2H3,(H,23,24).
What are the key properties of 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid?
3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-diethyl-4-(1H-indol-5-ylmethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 25126196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).