N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide

C17H21N5O2S — CID 74782983

IUPACN-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide
SMILESCCC1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)C2CC2)N1
InChIInChI=1S/C17H21N5O2S/c1-2-11-8-15(23)20-17(18-11)22-14(19-16(24)10-5-6-10)9-12(21-22)13-4-3-7-25-13/h3-4,7,9-11,17-18H,2,5-6,8H2,1H3,(H,19,24)(H,20,23)
InChIKeyLAVWMRAXNNKUNJ-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.30
Rot. Bonds5

About N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide

N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide (PubChem CID 74782983) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide
PubChem CID74782983
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide
SMILESCCC1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)C2CC2)N1
InChIInChI=1S/C17H21N5O2S/c1-2-11-8-15(23)20-17(18-11)22-14(19-16(24)10-5-6-10)9-12(21-22)13-4-3-7-25-13/h3-4,7,9-11,17-18H,2,5-6,8H2,1H3,(H,19,24)(H,20,23)
InChIKeyLAVWMRAXNNKUNJ-UHFFFAOYSA-N
XLogP2.30
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74782924
2-(3-methylphenyl)-N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783622
1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
CID 74924709
2-(2-fluorophenoxy)-N-[1-(4-oxo-6-propan-2-yl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783822
N-[1-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 74783631
(Z)-3-(3,4-dimethoxyphenyl)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]prop-2-enamide
CID 156593208
N-[1-(5-benzyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74783648
2-ethoxy-N-[2-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 74711438
1-(1,3-benzodioxol-5-yl)-3-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924708
N-[1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]-3-phenylpropanamide
CID 74784112
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopentanecarboxamide
CID 136604744
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclobutanecarboxamide
CID 136636644

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide (CID 74782983) is N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide is CCC1CC(=O)NC(n2nc(-c3cccs3)cc2NC(=O)C2CC2)N1.
What is the InChIKey of N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide?
The InChIKey is LAVWMRAXNNKUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-11-8-15(23)20-17(18-11)22-14(19-16(24)10-5-6-10)9-12(21-22)13-4-3-7-25-13/h3-4,7,9-11,17-18H,2,5-6,8H2,1H3,(H,19,24)(H,20,23).
What are the key properties of N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide?
N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide has a molecular weight of 359.46 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 74782983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).