N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide

C19H19FN4O3 — CID 71159322

IUPACN-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCCN)c(-c3ccn[nH]3)c2)ccc1F
InChIInChI=1S/C19H19FN4O3/c1-26-18-10-12(2-4-15(18)20)19(25)23-13-3-5-17(27-9-7-21)14(11-13)16-6-8-22-24-16/h2-6,8,10-11H,7,9,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBQHFCZOSXQXGB-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.81
Rot. Bonds7

About N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide

N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide (PubChem CID 71159322) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide
PubChem CID71159322
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(OCCN)c(-c3ccn[nH]3)c2)ccc1F
InChIInChI=1S/C19H19FN4O3/c1-26-18-10-12(2-4-15(18)20)19(25)23-13-3-5-17(27-9-7-21)14(11-13)16-6-8-22-24-16/h2-6,8,10-11H,7,9,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyFBQHFCZOSXQXGB-UHFFFAOYSA-N
XLogP2.81
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide (CID 71159322) is N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(OCCN)c(-c3ccn[nH]3)c2)ccc1F.
What is the InChIKey of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is FBQHFCZOSXQXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-26-18-10-12(2-4-15(18)20)19(25)23-13-3-5-17(27-9-7-21)14(11-13)16-6-8-22-24-16/h2-6,8,10-11H,7,9,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide?
N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 370.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-3-(1H-pyrazol-5-yl)phenyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 71159322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).