3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C18H18FN3O3 — CID 46944203

IUPAC3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1
InChIInChI=1S/C18H18FN3O3/c1-2-7-25-17-6-5-12(19)9-14(17)15-10-16(22-21-15)18(23)20-11-13-4-3-8-24-13/h3-6,8-10H,2,7,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyREDNJBGITORIGH-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.53
Rot. Bonds7

About 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46944203) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID46944203
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1
InChIInChI=1S/C18H18FN3O3/c1-2-7-25-17-6-5-12(19)9-14(17)15-10-16(22-21-15)18(23)20-11-13-4-3-8-24-13/h3-6,8-10H,2,7,11H2,1H3,(H,20,23)(H,21,22)
InChIKeyREDNJBGITORIGH-UHFFFAOYSA-N
XLogP3.53
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 46944203) is 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is CCCOc1ccc(F)cc1-c1cc(C(=O)NCc2ccco2)[nH]n1.
What is the InChIKey of 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is REDNJBGITORIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-2-7-25-17-6-5-12(19)9-14(17)15-10-16(22-21-15)18(23)20-11-13-4-3-8-24-13/h3-6,8-10H,2,7,11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-propoxyphenyl)-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46944203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).