4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide

C11H17IN4O2 — CID 19476257

IUPAC4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H17IN4O2/c1-15-10(9(12)8-14-15)11(17)13-2-3-16-4-6-18-7-5-16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyFTKILRTZJZDVQD-UHFFFAOYSA-N
MW364.19 g/mol
LogP0.09
Rot. Bonds4

About 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide

4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide (PubChem CID 19476257) has the molecular formula C11H17IN4O2 and a molecular weight of 364.19 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
PubChem CID19476257
Molecular FormulaC11H17IN4O2
Molecular Weight364.19 g/mol
Exact Mass364.04
IUPAC Name4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C11H17IN4O2/c1-15-10(9(12)8-14-15)11(17)13-2-3-16-4-6-18-7-5-16/h8H,2-7H2,1H3,(H,13,17)
InChIKeyFTKILRTZJZDVQD-UHFFFAOYSA-N
XLogP0.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
(1-Ethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 1225789
(4-Amino-2-methyl-2H-pyrazol-3-yl)-morpholin-4-yl-methanone
CID 739809
2,6-dimethyl-4-[(1-methyl-1H-pyrazol-3-yl)carbonyl]morpholine
CID 5057975
1-ethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 17144219
4-Fluoro-N-(2-methoxyethyl)-1-(1-methyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 124053494
3-(Morpholinocarbonyl)-N~1~-propyl-1H-pyrazole-1-carboxamide
CID 5348238
7-hydroxy-3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 146049539

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide (CID 19476257) is 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
The InChIKey is FTKILRTZJZDVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN4O2/c1-15-10(9(12)8-14-15)11(17)13-2-3-16-4-6-18-7-5-16/h8H,2-7H2,1H3,(H,13,17).
What are the key properties of 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide?
4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide has a molecular weight of 364.19 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).