2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid

C18H21N3O4 — CID 119231223

IUPAC2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCOc1ccc(C2(C(=O)Nc3ccn(CC(=O)O)n3)CCCC2)cc1
InChIInChI=1S/C18H21N3O4/c1-25-14-6-4-13(5-7-14)18(9-2-3-10-18)17(24)19-15-8-11-21(20-15)12-16(22)23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyGBMDERNRFHIQJE-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.43
Rot. Bonds6

About 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231223) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231223
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCOc1ccc(C2(C(=O)Nc3ccn(CC(=O)O)n3)CCCC2)cc1
InChIInChI=1S/C18H21N3O4/c1-25-14-6-4-13(5-7-14)18(9-2-3-10-18)17(24)19-15-8-11-21(20-15)12-16(22)23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,23)(H,19,20,24)
InChIKeyGBMDERNRFHIQJE-UHFFFAOYSA-N
XLogP2.43
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid (CID 119231223) is 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid is COc1ccc(C2(C(=O)Nc3ccn(CC(=O)O)n3)CCCC2)cc1.
What is the InChIKey of 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is GBMDERNRFHIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-25-14-6-4-13(5-7-14)18(9-2-3-10-18)17(24)19-15-8-11-21(20-15)12-16(22)23/h4-8,11H,2-3,9-10,12H2,1H3,(H,22,23)(H,19,20,24).
What are the key properties of 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).