3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide

C16H18ClF2N3O3 — CID 19554011

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
SMILESCCOc1cc(NC(=O)CCn2ncc(Cl)c2C)ccc1OC(F)F
InChIInChI=1S/C16H18ClF2N3O3/c1-3-24-14-8-11(4-5-13(14)25-16(18)19)21-15(23)6-7-22-10(2)12(17)9-20-22/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,21,23)
InChIKeyQCTOIOCGHMCCES-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.87
Rot. Bonds8

About 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide

3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide (PubChem CID 19554011) has the molecular formula C16H18ClF2N3O3 and a molecular weight of 373.79 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
PubChem CID19554011
Molecular FormulaC16H18ClF2N3O3
Molecular Weight373.79 g/mol
Exact Mass373.10
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
SMILESCCOc1cc(NC(=O)CCn2ncc(Cl)c2C)ccc1OC(F)F
InChIInChI=1S/C16H18ClF2N3O3/c1-3-24-14-8-11(4-5-13(14)25-16(18)19)21-15(23)6-7-22-10(2)12(17)9-20-22/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,21,23)
InChIKeyQCTOIOCGHMCCES-UHFFFAOYSA-N
XLogP3.87
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide (CID 19554011) is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide is CCOc1cc(NC(=O)CCn2ncc(Cl)c2C)ccc1OC(F)F.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
The InChIKey is QCTOIOCGHMCCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3O3/c1-3-24-14-8-11(4-5-13(14)25-16(18)19)21-15(23)6-7-22-10(2)12(17)9-20-22/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide has a molecular weight of 373.79 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide is sourced from PubChem (CID 19554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).