4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide

C14H14ClF2N3O2 — CID 19477315

IUPAC4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(C)ccc1OC(F)F
InChIInChI=1S/C14H14ClF2N3O2/c1-3-20-12(9(15)7-18-20)13(21)19-10-6-8(2)4-5-11(10)22-14(16)17/h4-7,14H,3H2,1-2H3,(H,19,21)
InChIKeyMTZPALUPOOVFLE-UHFFFAOYSA-N
MW329.73 g/mol
LogP3.72
Rot. Bonds5

About 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide

4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19477315) has the molecular formula C14H14ClF2N3O2 and a molecular weight of 329.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
PubChem CID19477315
Molecular FormulaC14H14ClF2N3O2
Molecular Weight329.73 g/mol
Exact Mass329.07
IUPAC Name4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cc(C)ccc1OC(F)F
InChIInChI=1S/C14H14ClF2N3O2/c1-3-20-12(9(15)7-18-20)13(21)19-10-6-8(2)4-5-11(10)22-14(16)17/h4-7,14H,3H2,1-2H3,(H,19,21)
InChIKeyMTZPALUPOOVFLE-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 6465441
N-[2-(difluoromethoxy)-5-methylphenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478446
4-chloro-N-(3-chloro-2-methylphenyl)-1-ethylpyrazole-5-carboxamide
CID 19477154
4-chloro-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-ethylpyrazole-5-carboxamide
CID 19477346
2-(4-chloropyrazol-1-yl)-N-[2-(difluoromethoxy)-5-methylphenyl]propanamide
CID 19538556
2-[3-[[2-(difluoromethoxy)-5-methylphenyl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500233
3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19510088
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19477417
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(difluoromethoxy)-5-methylphenyl]acetamide
CID 19523438
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
4-[(4-chloro-1-ethylpyrazole-5-carbonyl)amino]-1-methylpyrazole-5-carboxamide
CID 4771010
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-carboxamide
CID 19494718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide (CID 19477315) is 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cc(C)ccc1OC(F)F.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is MTZPALUPOOVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O2/c1-3-20-12(9(15)7-18-20)13(21)19-10-6-8(2)4-5-11(10)22-14(16)17/h4-7,14H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide?
4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 329.73 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(difluoromethoxy)-5-methylphenyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19477315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).