2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide

C15H15ClFN3O — CID 71808581

IUPAC2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
SMILESCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1C1CC1
InChIInChI=1S/C15H15ClFN3O/c1-20-13(9-5-6-9)7-10(19-20)8-18-15(21)14-11(16)3-2-4-12(14)17/h2-4,7,9H,5-6,8H2,1H3,(H,18,21)
InChIKeyXRLVQZSLRYURMP-UHFFFAOYSA-N
MW307.76 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide

2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide (PubChem CID 71808581) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
PubChem CID71808581
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
SMILESCn1nc(CNC(=O)c2c(F)cccc2Cl)cc1C1CC1
InChIInChI=1S/C15H15ClFN3O/c1-20-13(9-5-6-9)7-10(19-20)8-18-15(21)14-11(16)3-2-4-12(14)17/h2-4,7,9H,5-6,8H2,1H3,(H,18,21)
InChIKeyXRLVQZSLRYURMP-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 71808560
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-piperidin-1-ylbenzamide
CID 136566223
2-chloro-N-[(5-cyclopropyl-3-pyridinyl)methyl]-6-fluorobenzamide
CID 122246847
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-6-fluorobenzamide
CID 72718413
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 71808607
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-ethoxybenzamide
CID 71808574
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-phenylbutanamide
CID 71808571
2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 71808611
2-chloro-N-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]methyl]-6-fluorobenzamide
CID 53156185
2-chloro-N-[2-(cyclopropylamino)ethyl]-6-fluorobenzamide
CID 62664556
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide (CID 71808581) is 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide is Cn1nc(CNC(=O)c2c(F)cccc2Cl)cc1C1CC1.
What is the InChIKey of 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
The InChIKey is XRLVQZSLRYURMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-20-13(9-5-6-9)7-10(19-20)8-18-15(21)14-11(16)3-2-4-12(14)17/h2-4,7,9H,5-6,8H2,1H3,(H,18,21).
What are the key properties of 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide?
2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide has a molecular weight of 307.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide is sourced from PubChem (CID 71808581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).