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

C16H18ClF2N3O3 — CID 19544155

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
SMILESCCOc1cc(NC(=O)CCn2cc(Cl)c(C)n2)ccc1OC(F)F
InChIInChI=1S/C16H18ClF2N3O3/c1-3-24-14-8-11(4-5-13(14)25-16(18)19)20-15(23)6-7-22-9-12(17)10(2)21-22/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,20,23)
InChIKeyIQSXBJZSBOZXGD-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.87
Rot. Bonds8

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

3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide (PubChem CID 19544155) has the molecular formula C16H18ClF2N3O3 and a molecular weight of 373.79 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
PubChem CID19544155
Molecular FormulaC16H18ClF2N3O3
Molecular Weight373.79 g/mol
Exact Mass373.10
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
SMILESCCOc1cc(NC(=O)CCn2cc(Cl)c(C)n2)ccc1OC(F)F
InChIInChI=1S/C16H18ClF2N3O3/c1-3-24-14-8-11(4-5-13(14)25-16(18)19)20-15(23)6-7-22-9-12(17)10(2)21-22/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,20,23)
InChIKeyIQSXBJZSBOZXGD-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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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550051
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550050
3-(4-chloro-3-methylpyrazol-1-yl)-N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19544108
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid
CID 19584106
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530659
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19554010
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
CID 19518208
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522005
N-(3-chloro-4-ethoxyphenyl)-3-pyrazol-1-ylpropanamide
CID 47352808
1-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483030
ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267096

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide (CID 19544155) is 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide is CCOc1cc(NC(=O)CCn2cc(Cl)c(C)n2)ccc1OC(F)F.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
The InChIKey is IQSXBJZSBOZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3O3/c1-3-24-14-8-11(4-5-13(14)25-16(18)19)20-15(23)6-7-22-9-12(17)10(2)21-22/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide?
3-(4-chloro-3-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-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide is sourced from PubChem (CID 19544155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).