2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide

C20H19F2N3O2 — CID 42686957

IUPAC2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
SMILESCCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-3-5-17-19(23-20(26)15-9-8-13(21)11-16(15)22)18(25-24-17)12-6-4-7-14(10-12)27-2/h4,6-11H,3,5H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVYNRCARRNJZNJD-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.57
Rot. Bonds6

About 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide

2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide (PubChem CID 42686957) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
PubChem CID42686957
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
SMILESCCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C20H19F2N3O2/c1-3-5-17-19(23-20(26)15-9-8-13(21)11-16(15)22)18(25-24-17)12-6-4-7-14(10-12)27-2/h4,6-11H,3,5H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyVYNRCARRNJZNJD-UHFFFAOYSA-N
XLogP4.57
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686892
4-fluoro-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686304
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
2,4-difluoro-N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]benzamide
CID 69065723
N-[5-ethyl-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42687684
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686883
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 42686897
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide (CID 42686957) is 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide is CCCc1[nH]nc(-c2cccc(OC)c2)c1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
The InChIKey is VYNRCARRNJZNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c1-3-5-17-19(23-20(26)15-9-8-13(21)11-16(15)22)18(25-24-17)12-6-4-7-14(10-12)27-2/h4,6-11H,3,5H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide?
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 42686957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).