2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide

C16H18ClN3O2 — CID 100829350

IUPAC2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-4-10-18-15(21)16(2,3)22-14-13(17)11-20(19-14)12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3,(H,18,21)
InChIKeyRVBLSPGPBMMRKN-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.99
Rot. Bonds6

About 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide (PubChem CID 100829350) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide
PubChem CID100829350
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClN3O2/c1-4-10-18-15(21)16(2,3)22-14-13(17)11-20(19-14)12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3,(H,18,21)
InChIKeyRVBLSPGPBMMRKN-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide (CID 100829350) is 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl.
What is the InChIKey of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is RVBLSPGPBMMRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-4-10-18-15(21)16(2,3)22-14-13(17)11-20(19-14)12-8-6-5-7-9-12/h4-9,11H,1,10H2,2-3H3,(H,18,21).
What are the key properties of 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide?
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 319.79 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 100829350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).