N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide

C16H17ClFN3O — CID 4995823

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
SMILESCc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)C1CC1
InChIInChI=1S/C16H17ClFN3O/c1-9-15(19-16(22)11-6-7-11)10(2)21(20-9)8-12-13(17)4-3-5-14(12)18/h3-5,11H,6-8H2,1-2H3,(H,19,22)
InChIKeyFTASQQMHJQGMFP-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.69
Rot. Bonds4

About N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 4995823) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
PubChem CID4995823
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide
SMILESCc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)C1CC1
InChIInChI=1S/C16H17ClFN3O/c1-9-15(19-16(22)11-6-7-11)10(2)21(20-9)8-12-13(17)4-3-5-14(12)18/h3-5,11H,6-8H2,1-2H3,(H,19,22)
InChIKeyFTASQQMHJQGMFP-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide (CID 4995823) is N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide is Cc1nn(Cc2c(F)cccc2Cl)c(C)c1NC(=O)C1CC1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is FTASQQMHJQGMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c1-9-15(19-16(22)11-6-7-11)10(2)21(20-9)8-12-13(17)4-3-5-14(12)18/h3-5,11H,6-8H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 321.78 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 4995823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).