4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C14H16FN3O — CID 115621244

IUPAC4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1
InChIInChI=1S/C14H16FN3O/c1-3-4-11-8-13(18-17-11)16-14(19)10-5-6-12(15)9(2)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyBWEDDBUBTYBPKG-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.06
Rot. Bonds4

About 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 115621244) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID115621244
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1
InChIInChI=1S/C14H16FN3O/c1-3-4-11-8-13(18-17-11)16-14(19)10-5-6-12(15)9(2)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyBWEDDBUBTYBPKG-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2,4,6-trifluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115647444

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 115621244) is 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2ccc(F)c(C)c2)n[nH]1.
What is the InChIKey of 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is BWEDDBUBTYBPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-4-11-8-13(18-17-11)16-14(19)10-5-6-12(15)9(2)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 261.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115621244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).