N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide

C19H21N3O3 — CID 110928395

IUPACN-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide
SMILESCCCc1ccc(-c2cc(NC(=O)c3ccoc3)n(CCO)n2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-3-14-4-6-15(7-5-14)17-12-18(22(21-17)9-10-23)20-19(24)16-8-11-25-13-16/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,20,24)
InChIKeyOPPKWTSKDRFHRE-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.34
Rot. Bonds7

About N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide

N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide (PubChem CID 110928395) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide
PubChem CID110928395
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide
SMILESCCCc1ccc(-c2cc(NC(=O)c3ccoc3)n(CCO)n2)cc1
InChIInChI=1S/C19H21N3O3/c1-2-3-14-4-6-15(7-5-14)17-12-18(22(21-17)9-10-23)20-19(24)16-8-11-25-13-16/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,20,24)
InChIKeyOPPKWTSKDRFHRE-UHFFFAOYSA-N
XLogP3.34
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide (CID 110928395) is N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide is CCCc1ccc(-c2cc(NC(=O)c3ccoc3)n(CCO)n2)cc1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide?
The InChIKey is OPPKWTSKDRFHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-3-14-4-6-15(7-5-14)17-12-18(22(21-17)9-10-23)20-19(24)16-8-11-25-13-16/h4-8,11-13,23H,2-3,9-10H2,1H3,(H,20,24).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide?
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 110928395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).