N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide

C21H19F2N3O2 — CID 46933082

IUPACN-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide
SMILESCOc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H19F2N3O2/c1-28-16-7-2-13(3-8-16)12-26-20(11-19(25-26)14-4-5-14)24-21(27)17-9-6-15(22)10-18(17)23/h2-3,6-11,14H,4-5,12H2,1H3,(H,24,27)
InChIKeyKEUZHOIMDIJSGC-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.35
Rot. Bonds6

About N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide

N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide (PubChem CID 46933082) has the molecular formula C21H19F2N3O2 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide
PubChem CID46933082
Molecular FormulaC21H19F2N3O2
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC NameN-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide
SMILESCOc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2F)cc1
InChIInChI=1S/C21H19F2N3O2/c1-28-16-7-2-13(3-8-16)12-26-20(11-19(25-26)14-4-5-14)24-21(27)17-9-6-15(22)10-18(17)23/h2-3,6-11,14H,4-5,12H2,1H3,(H,24,27)
InChIKeyKEUZHOIMDIJSGC-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide (CID 46933082) is N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide is COc1ccc(Cn2nc(C3CC3)cc2NC(=O)c2ccc(F)cc2F)cc1.
What is the InChIKey of N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide?
The InChIKey is KEUZHOIMDIJSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O2/c1-28-16-7-2-13(3-8-16)12-26-20(11-19(25-26)14-4-5-14)24-21(27)17-9-6-15(22)10-18(17)23/h2-3,6-11,14H,4-5,12H2,1H3,(H,24,27).
What are the key properties of N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide?
N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide has a molecular weight of 383.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(4-methoxyphenyl)methyl]pyrazol-5-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 46933082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).