[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone

C20H21N3O4 — CID 72927383

IUPAC[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cn2cc(-c3ccc(C(=O)N4CCOCC4)o3)cn2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-17-4-2-15(3-5-17)13-23-14-16(12-21-23)18-6-7-19(27-18)20(24)22-8-10-26-11-9-22/h2-7,12,14H,8-11,13H2,1H3
InChIKeySEJMHKXVVUFVHI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.67
Rot. Bonds5

About [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone

[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone (PubChem CID 72927383) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone
PubChem CID72927383
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(Cn2cc(-c3ccc(C(=O)N4CCOCC4)o3)cn2)cc1
InChIInChI=1S/C20H21N3O4/c1-25-17-4-2-15(3-5-17)13-23-14-16(12-21-23)18-6-7-19(27-18)20(24)22-8-10-26-11-9-22/h2-7,12,14H,8-11,13H2,1H3
InChIKeySEJMHKXVVUFVHI-UHFFFAOYSA-N
XLogP2.67
TPSA69.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
CID 83894143
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 35323460
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
CID 141333156
[5-(4-methoxyphenyl)furan-2-yl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 131933568

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone (CID 72927383) is [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone is COc1ccc(Cn2cc(-c3ccc(C(=O)N4CCOCC4)o3)cn2)cc1.
What is the InChIKey of [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SEJMHKXVVUFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-17-4-2-15(3-5-17)13-23-14-16(12-21-23)18-6-7-19(27-18)20(24)22-8-10-26-11-9-22/h2-7,12,14H,8-11,13H2,1H3.
What are the key properties of [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone?
[5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone has a molecular weight of 367.41 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72927383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).