2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid

C17H21N3O4 — CID 120529046

IUPAC2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCCCn1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cn1
InChIInChI=1S/C17H21N3O4/c1-2-9-20-11-14(10-19-20)17(23)18-8-7-13-3-5-15(6-4-13)24-12-16(21)22/h3-6,10-11H,2,7-9,12H2,1H3,(H,18,23)(H,21,22)
InChIKeyCLRFVPHGZZCCQQ-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.73
Rot. Bonds9

About 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 120529046) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
PubChem CID120529046
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid
SMILESCCCn1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cn1
InChIInChI=1S/C17H21N3O4/c1-2-9-20-11-14(10-19-20)17(23)18-8-7-13-3-5-15(6-4-13)24-12-16(21)22/h3-6,10-11H,2,7-9,12H2,1H3,(H,18,23)(H,21,22)
InChIKeyCLRFVPHGZZCCQQ-UHFFFAOYSA-N
XLogP1.73
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethoxyphenyl)methyl]-3-[(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120524941
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
2-[4-[2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120529025
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[(4,5-diethylfuran-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120688153
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)ethyl]phenoxy]acetic acid
CID 119255550
2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 120529047
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid (CID 120529046) is 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid is CCCn1cc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cn1.
What is the InChIKey of 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is CLRFVPHGZZCCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-9-20-11-14(10-19-20)17(23)18-8-7-13-3-5-15(6-4-13)24-12-16(21)22/h3-6,10-11H,2,7-9,12H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 331.37 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1-propylpyrazole-4-carbonyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 120529046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).