4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide

C19H18FN3O — CID 142009070

IUPAC4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCCC(F)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18FN3O/c1-2-16(20)12-3-5-13(6-4-12)17-11-18(23-22-17)14-7-9-15(10-8-14)19(21)24/h3-11,16H,2H2,1H3,(H2,21,24)(H,22,23)
InChIKeyTWBCBEYZJXKQJL-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.26
Rot. Bonds5

About 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide

4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 142009070) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID142009070
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESCCC(F)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)n[nH]2)cc1
InChIInChI=1S/C19H18FN3O/c1-2-16(20)12-3-5-13(6-4-12)17-11-18(23-22-17)14-7-9-15(10-8-14)19(21)24/h3-11,16H,2H2,1H3,(H2,21,24)(H,22,23)
InChIKeyTWBCBEYZJXKQJL-UHFFFAOYSA-N
XLogP4.26
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide (CID 142009070) is 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide is CCC(F)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)n[nH]2)cc1.
What is the InChIKey of 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is TWBCBEYZJXKQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-2-16(20)12-3-5-13(6-4-12)17-11-18(23-22-17)14-7-9-15(10-8-14)19(21)24/h3-11,16H,2H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide?
4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 323.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(1-fluoropropyl)phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 142009070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).