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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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).