N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

C19H28N4O3 — CID 72940970

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2coc(CN3CCOCC3)c2)c1C
InChIInChI=1S/C19H28N4O3/c1-4-23-15(3)18(14(2)21-23)5-6-20-19(24)16-11-17(26-13-16)12-22-7-9-25-10-8-22/h11,13H,4-10,12H2,1-3H3,(H,20,24)
InChIKeyHDYWHHMBQGTAIE-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.92
Rot. Bonds7

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (PubChem CID 72940970) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
PubChem CID72940970
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
SMILESCCn1nc(C)c(CCNC(=O)c2coc(CN3CCOCC3)c2)c1C
InChIInChI=1S/C19H28N4O3/c1-4-23-15(3)18(14(2)21-23)5-6-20-19(24)16-11-17(26-13-16)12-22-7-9-25-10-8-22/h11,13H,4-10,12H2,1-3H3,(H,20,24)
InChIKeyHDYWHHMBQGTAIE-UHFFFAOYSA-N
XLogP1.92
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-methylfuran-3-carbohydrazide
CID 6885163
Furan-3-carbohydrazide, 2-methyl-N2-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylene-
CID 9593094
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetamide
CID 16191525
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
1-(2,5-dimethyl-3-furoyl)-N-[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]-2-piperidinecarboxamide
CID 24791263
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-methyl-3-furoyl)pipecolinamide
CID 24816693
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5976730
US10730889, Example 295
CID 145741267
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16192234
N-(furan-2-ylmethyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279647

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide (CID 72940970) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is CCn1nc(C)c(CCNC(=O)c2coc(CN3CCOCC3)c2)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
The InChIKey is HDYWHHMBQGTAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-23-15(3)18(14(2)21-23)5-6-20-19(24)16-11-17(26-13-16)12-22-7-9-25-10-8-22/h11,13H,4-10,12H2,1-3H3,(H,20,24).
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 72940970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).