N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide

C20H24N6O3S — CID 30865659

IUPACN-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCCCn1ccnc1
InChIInChI=1S/C20H24N6O3S/c27-19(22-4-2-6-24-7-5-21-15-24)14-26-17(18-3-1-12-30-18)13-16(23-26)20(28)25-8-10-29-11-9-25/h1,3,5,7,12-13,15H,2,4,6,8-11,14H2,(H,22,27)
InChIKeyIXCMRVMOLBPEQJ-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.49
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide

N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide (PubChem CID 30865659) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
PubChem CID30865659
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCCCn1ccnc1
InChIInChI=1S/C20H24N6O3S/c27-19(22-4-2-6-24-7-5-21-15-24)14-26-17(18-3-1-12-30-18)13-16(23-26)20(28)25-8-10-29-11-9-25/h1,3,5,7,12-13,15H,2,4,6,8-11,14H2,(H,22,27)
InChIKeyIXCMRVMOLBPEQJ-UHFFFAOYSA-N
XLogP1.49
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 3242386
N-(3-imidazol-1-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51265544
N-(3-imidazol-1-ylpropyl)-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)acetamide
CID 16669820
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569650
N-(3-morpholin-4-ylpropyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513214
2-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 71984676
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylacetamide
CID 110472557
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093
1-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324255
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-(3-imidazol-1-ylpropyl)-6-(1,3-oxazole-4-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166621792
N-(3-imidazol-1-ylpropyl)thiophene-2-carbothioamide
CID 24994520

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide (CID 30865659) is N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide is O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The InChIKey is IXCMRVMOLBPEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c27-19(22-4-2-6-24-7-5-21-15-24)14-26-17(18-3-1-12-30-18)13-16(23-26)20(28)25-8-10-29-11-9-25/h1,3,5,7,12-13,15H,2,4,6,8-11,14H2,(H,22,27).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide has a molecular weight of 428.52 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 30865659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).