2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide

C13H14ClF4N5O — CID 19526222

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C(F)F)c1C
InChIInChI=1S/C13H14ClF4N5O/c1-3-22-6(2)7(4-19-22)20-8(24)5-23-11(13(17)18)9(14)10(21-23)12(15)16/h4,12-13H,3,5H2,1-2H3,(H,20,24)
InChIKeyBQCXRMMKRNBSIG-UHFFFAOYSA-N
MW367.73 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide (PubChem CID 19526222) has the molecular formula C13H14ClF4N5O and a molecular weight of 367.73 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide
PubChem CID19526222
Molecular FormulaC13H14ClF4N5O
Molecular Weight367.73 g/mol
Exact Mass367.08
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide
SMILESCCn1ncc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C(F)F)c1C
InChIInChI=1S/C13H14ClF4N5O/c1-3-22-6(2)7(4-19-22)20-8(24)5-23-11(13(17)18)9(14)10(21-23)12(15)16/h4,12-13H,3,5H2,1-2H3,(H,20,24)
InChIKeyBQCXRMMKRNBSIG-UHFFFAOYSA-N
XLogP3.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(5-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 17021840
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-4-yl}propanamide
CID 19584493
N-(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)-4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 4768135
2-[4-Chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]-1-pyrazolylpropan-1-one
CID 4770294
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-3-carboxamide
CID 4770494
4-Chloro-5-cyclopropyl-N-(1,5-dimethyl-1H-pyrazol-4-yl)-alpha-methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 4770620
2-[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 4770756
4-({[4-chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}amino)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4770832
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 4771577

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide (CID 19526222) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide is CCn1ncc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C(F)F)c1C.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide?
The InChIKey is BQCXRMMKRNBSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF4N5O/c1-3-22-6(2)7(4-19-22)20-8(24)5-23-11(13(17)18)9(14)10(21-23)12(15)16/h4,12-13H,3,5H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide has a molecular weight of 367.73 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 19526222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).