(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide

C18H19N3O4 — CID 125123660

IUPAC(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide
SMILESCOc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2ccco2)cc1
InChIInChI=1S/C18H19N3O4/c1-24-12-6-4-11(5-7-12)9-14-17(18(23)21-20-14)13(10-16(19)22)15-3-2-8-25-15/h2-8,13H,9-10H2,1H3,(H2,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyIIFLXPOMTHUSDQ-CYBMUJFWSA-N
MW341.37 g/mol
LogP1.90
Rot. Bonds7

About (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide

(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide (PubChem CID 125123660) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide
PubChem CID125123660
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide
SMILESCOc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2ccco2)cc1
InChIInChI=1S/C18H19N3O4/c1-24-12-6-4-11(5-7-12)9-14-17(18(23)21-20-14)13(10-16(19)22)15-3-2-8-25-15/h2-8,13H,9-10H2,1H3,(H2,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyIIFLXPOMTHUSDQ-CYBMUJFWSA-N
XLogP1.90
TPSA114.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]-3-(2,4,5-trimethoxyphenyl)propanamide
CID 125124290
3-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-oxo-1,2-dihydropyrazol-4-yl]-3-(4-methoxyphenyl)propanamide
CID 102564424
methyl (3R)-3-(4-cyanophenyl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanoate
CID 97426489
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780
methyl (3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanoate
CID 97423729
methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate
CID 54512248
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 91641112
methyl (3R)-3-(3-benzyl-5-oxo-1,2-dihydropyrazol-4-yl)-3-pyridin-3-ylpropanoate
CID 97425255
(3R)-3-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709032
2-[(4-methoxyphenyl)methyl]butanediamide
CID 70065989
N'-[(2S)-2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 40775081
ethyl (3S)-3-(furan-2-yl)-3-(3-methoxyphenyl)propanoate
CID 132919286

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide?
The IUPAC name of (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide (CID 125123660) is (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide.
What is the SMILES notation for (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide?
The canonical SMILES for (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide is COc1ccc(Cc2[nH][nH]c(=O)c2[C@H](CC(N)=O)c2ccco2)cc1.
What is the InChIKey of (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide?
The InChIKey is IIFLXPOMTHUSDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-12-6-4-11(5-7-12)9-14-17(18(23)21-20-14)13(10-16(19)22)15-3-2-8-25-15/h2-8,13H,9-10H2,1H3,(H2,19,22)(H2,20,21,23)/t13-/m1/s1.
What are the key properties of (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide?
(3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide has a molecular weight of 341.37 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(furan-2-yl)-3-[3-[(4-methoxyphenyl)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]propanamide is sourced from PubChem (CID 125123660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).