N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide

C15H13Cl2F2N3O2 — CID 15220197

IUPACN-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide
SMILESCn1nc(-c2ccc(Cl)c(NC(=O)C3CC3)c2)c(Cl)c1OC(F)F
InChIInChI=1S/C15H13Cl2F2N3O2/c1-22-14(24-15(18)19)11(17)12(21-22)8-4-5-9(16)10(6-8)20-13(23)7-2-3-7/h4-7,15H,2-3H2,1H3,(H,20,23)
InChIKeyHPTOWXAJXQXAGB-UHFFFAOYSA-N
MW376.19 g/mol
LogP4.34
Rot. Bonds5

About N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide

N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide (PubChem CID 15220197) has the molecular formula C15H13Cl2F2N3O2 and a molecular weight of 376.19 g/mol. Its IUPAC name is N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide
PubChem CID15220197
Molecular FormulaC15H13Cl2F2N3O2
Molecular Weight376.19 g/mol
Exact Mass375.04
IUPAC NameN-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide
SMILESCn1nc(-c2ccc(Cl)c(NC(=O)C3CC3)c2)c(Cl)c1OC(F)F
InChIInChI=1S/C15H13Cl2F2N3O2/c1-22-14(24-15(18)19)11(17)12(21-22)8-4-5-9(16)10(6-8)20-13(23)7-2-3-7/h4-7,15H,2-3H2,1H3,(H,20,23)
InChIKeyHPTOWXAJXQXAGB-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chloro-5-aminophenyl)pyrazole
CID 11427347
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11438328
4-Chloro-3-(4-chlorophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220185
4-chloro-3-(4-chloro-3-[di-(methylsulfonyl)-amino]-phenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15220191
3-(5-amino-2,4-dichlorophenyl)-4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15672098
4-chloro-3-(2,4-dichloro-5-methylaminosulfonylaminophenyl)-5-difluoromethoxy-1-methyl-1H-pyrazole
CID 15672100
2-[2,4-Dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]anilino]propanoic acid
CID 15672107
Ethyl 2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]anilino]propanoate
CID 15672109
2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluoro-N-prop-2-enylaniline
CID 15672306
2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluoro-N-prop-2-ynylaniline
CID 15672307
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chloro-5-nitrophenyl)pyrazole
CID 15672337
5-[4-Bromo-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-chloroaniline
CID 18401360

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide (CID 15220197) is N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide is Cn1nc(-c2ccc(Cl)c(NC(=O)C3CC3)c2)c(Cl)c1OC(F)F.
What is the InChIKey of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is HPTOWXAJXQXAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2F2N3O2/c1-22-14(24-15(18)19)11(17)12(21-22)8-4-5-9(16)10(6-8)20-13(23)7-2-3-7/h4-7,15H,2-3H2,1H3,(H,20,23).
What are the key properties of N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide?
N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 376.19 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 15220197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).