N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide

C18H24N4O2 — CID 75389972

IUPACN-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide
SMILESCC(NC(=O)C1CN(C)CCO1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(23)17-13-21(2)8-9-24-17)16-10-19-22(12-16)11-15-6-4-3-5-7-15/h3-7,10,12,14,17H,8-9,11,13H2,1-2H3,(H,20,23)
InChIKeyVHBYHFCTWPBPKV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.44
Rot. Bonds5

About N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide

N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide (PubChem CID 75389972) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide
PubChem CID75389972
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide
SMILESCC(NC(=O)C1CN(C)CCO1)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C18H24N4O2/c1-14(20-18(23)17-13-21(2)8-9-24-17)16-10-19-22(12-16)11-15-6-4-3-5-7-15/h3-7,10,12,14,17H,8-9,11,13H2,1-2H3,(H,20,23)
InChIKeyVHBYHFCTWPBPKV-UHFFFAOYSA-N
XLogP1.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide (CID 75389972) is N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide is CC(NC(=O)C1CN(C)CCO1)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide?
The InChIKey is VHBYHFCTWPBPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(20-18(23)17-13-21(2)8-9-24-17)16-10-19-22(12-16)11-15-6-4-3-5-7-15/h3-7,10,12,14,17H,8-9,11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide?
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 75389972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).