N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide

C17H20ClN5O2 — CID 58441180

IUPACN-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc2n(n1)CCN2c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN5O2/c18-13-2-1-3-14(10-13)22-4-5-23-17(22)11-15(20-23)19-16(24)12-21-6-8-25-9-7-21/h1-3,10-11H,4-9,12H2,(H,19,20,24)
InChIKeyKMGDAKSFOMXGFN-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.96
Rot. Bonds4

About N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide

N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide (PubChem CID 58441180) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide
PubChem CID58441180
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1cc2n(n1)CCN2c1cccc(Cl)c1
InChIInChI=1S/C17H20ClN5O2/c18-13-2-1-3-14(10-13)22-4-5-23-17(22)11-15(20-23)19-16(24)12-21-6-8-25-9-7-21/h1-3,10-11H,4-9,12H2,(H,19,20,24)
InChIKeyKMGDAKSFOMXGFN-UHFFFAOYSA-N
XLogP1.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide (CID 58441180) is N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1cc2n(n1)CCN2c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide?
The InChIKey is KMGDAKSFOMXGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-13-2-1-3-14(10-13)22-4-5-23-17(22)11-15(20-23)19-16(24)12-21-6-8-25-9-7-21/h1-3,10-11H,4-9,12H2,(H,19,20,24).
What are the key properties of N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide?
N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide has a molecular weight of 361.83 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2,3-dihydroimidazo[2,1-e]pyrazol-6-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 58441180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).