N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide

C18H19N3O3 — CID 99798504

IUPACN-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
SMILESCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H19N3O3/c1-3-18(23)21-16(11-15(20-21)17-8-5-9-24-17)13-6-4-7-14(10-13)19-12(2)22/h4-10,16H,3,11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyDYZIJFHIQNDNNP-MRXNPFEDSA-N
MW325.37 g/mol
LogP3.33
Rot. Bonds4

About N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide

N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide (PubChem CID 99798504) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
PubChem CID99798504
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
SMILESCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(NC(C)=O)c1
InChIInChI=1S/C18H19N3O3/c1-3-18(23)21-16(11-15(20-21)17-8-5-9-24-17)13-6-4-7-14(10-13)19-12(2)22/h4-10,16H,3,11H2,1-2H3,(H,19,22)/t16-/m1/s1
InChIKeyDYZIJFHIQNDNNP-MRXNPFEDSA-N
XLogP3.33
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 119053141
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
1-[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-methylbutan-1-one
CID 86807245
3-(diethylamino)-1-[(3R)-5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 99798482
[5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 71779741
5-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119040927
1-[(3R)-5-(furan-2-yl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]butan-1-one
CID 97097838
5-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119038830
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
CID 78792990
1-[5-(furan-2-yl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 53317215

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide (CID 99798504) is N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide is CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
The InChIKey is DYZIJFHIQNDNNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-18(23)21-16(11-15(20-21)17-8-5-9-24-17)13-6-4-7-14(10-13)19-12(2)22/h4-10,16H,3,11H2,1-2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide?
N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 99798504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).