2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide

C15H18ClF2N5O — CID 19294628

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1nccc1CNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H18ClF2N5O/c1-2-22-10(5-6-20-22)7-19-11(24)8-23-14(9-3-4-9)12(16)13(21-23)15(17)18/h5-6,9,15H,2-4,7-8H2,1H3,(H,19,24)
InChIKeyUULNANMNIQPIOY-UHFFFAOYSA-N
MW357.79 g/mol
LogP2.88
Rot. Bonds7

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19294628) has the molecular formula C15H18ClF2N5O and a molecular weight of 357.79 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
PubChem CID19294628
Molecular FormulaC15H18ClF2N5O
Molecular Weight357.79 g/mol
Exact Mass357.12
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1nccc1CNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H18ClF2N5O/c1-2-22-10(5-6-20-22)7-19-11(24)8-23-14(9-3-4-9)12(16)13(21-23)15(17)18/h5-6,9,15H,2-4,7-8H2,1H3,(H,19,24)
InChIKeyUULNANMNIQPIOY-UHFFFAOYSA-N
XLogP2.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.79
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-phenylacetamide
CID 19526769
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 19526798
N-(4-acetylphenyl)-2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
CID 19526729
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 19526842
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 19526833
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19526870
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]acetamide
CID 19526821
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526888
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19526872
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(3-methoxy-5-nitrophenyl)acetamide
CID 19526775

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide (CID 19294628) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide is CCn1nccc1CNC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is UULNANMNIQPIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2N5O/c1-2-22-10(5-6-20-22)7-19-11(24)8-23-14(9-3-4-9)12(16)13(21-23)15(17)18/h5-6,9,15H,2-4,7-8H2,1H3,(H,19,24).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 357.79 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(2-ethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19294628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).