2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C18H21N3O5 — CID 120696464

IUPAC2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESC=CCOc1cc(OC)ccc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C18H21N3O5/c1-5-8-26-15-9-13(25-4)6-7-14(15)16(22)20-12-10-19-21(11-12)18(2,3)17(23)24/h5-7,9-11H,1,8H2,2-4H3,(H,20,22)(H,23,24)
InChIKeyRTLDHDHMFHIEPA-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.53
Rot. Bonds8

About 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696464) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696464
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESC=CCOc1cc(OC)ccc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1
InChIInChI=1S/C18H21N3O5/c1-5-8-26-15-9-13(25-4)6-7-14(15)16(22)20-12-10-19-21(11-12)18(2,3)17(23)24/h5-7,9-11H,1,8H2,2-4H3,(H,20,22)(H,23,24)
InChIKeyRTLDHDHMFHIEPA-UHFFFAOYSA-N
XLogP2.53
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[2-(2-bromo-5-methoxyphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696897
2-[4-[[2-(methoxymethyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696342
bis(4-methoxy-2-prop-2-enoxyphenyl)methanone
CID 134843871
3-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]propanoic acid
CID 120515258
2-[4-[3-(4-methoxyphenyl)butanoylamino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696934
2-methyl-2-[4-[[4-(3-methylbutoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696595
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697609
2-[4-[(3-ethoxy-4-propoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697248
N-(1-tert-butylpyrazol-4-yl)-3-methoxy-4-methylbenzamide
CID 86860510
2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[[2-(2-methoxyethoxy)acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696464) is 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is C=CCOc1cc(OC)ccc1C(=O)Nc1cnn(C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is RTLDHDHMFHIEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-5-8-26-15-9-13(25-4)6-7-14(15)16(22)20-12-10-19-21(11-12)18(2,3)17(23)24/h5-7,9-11H,1,8H2,2-4H3,(H,20,22)(H,23,24).
What are the key properties of 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 359.38 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-2-prop-2-enoxybenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).