2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide

C20H22N4O3 — CID 46440798

IUPAC2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1C
InChIInChI=1S/C20H22N4O3/c1-12-14(3)27-15(4)18(12)20(26)23-17-8-5-7-16(11-17)22-19(25)13(2)24-10-6-9-21-24/h5-11,13H,1-4H3,(H,22,25)(H,23,26)
InChIKeyFKSYJIADRDKJSK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.85
Rot. Bonds5

About 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide

2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide (PubChem CID 46440798) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
PubChem CID46440798
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide
SMILESCc1oc(C)c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1C
InChIInChI=1S/C20H22N4O3/c1-12-14(3)27-15(4)18(12)20(26)23-17-8-5-7-16(11-17)22-19(25)13(2)24-10-6-9-21-24/h5-11,13H,1-4H3,(H,22,25)(H,23,26)
InChIKeyFKSYJIADRDKJSK-UHFFFAOYSA-N
XLogP3.85
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
5-(methoxymethyl)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 78867824
3-fluoro-4-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959593
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide;hydrochloride
CID 119717862
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
4-phenoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46468293

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide?
The IUPAC name of 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide (CID 46440798) is 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide?
The canonical SMILES for 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide is Cc1oc(C)c(C(=O)Nc2cccc(NC(=O)C(C)n3cccn3)c2)c1C.
What is the InChIKey of 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide?
The InChIKey is FKSYJIADRDKJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-14(3)27-15(4)18(12)20(26)23-17-8-5-7-16(11-17)22-19(25)13(2)24-10-6-9-21-24/h5-11,13H,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide?
2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]furan-3-carboxamide is sourced from PubChem (CID 46440798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).