4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

C12H19IN4O2 — CID 19476088

IUPAC4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H19IN4O2/c1-16-11(10(13)9-15-16)12(18)14-3-2-4-17-5-7-19-8-6-17/h9H,2-8H2,1H3,(H,14,18)
InChIKeyWJWQGZRGPVJOCV-UHFFFAOYSA-N
MW378.21 g/mol
LogP0.48
Rot. Bonds5

About 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide

4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (PubChem CID 19476088) has the molecular formula C12H19IN4O2 and a molecular weight of 378.21 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
PubChem CID19476088
Molecular FormulaC12H19IN4O2
Molecular Weight378.21 g/mol
Exact Mass378.06
IUPAC Name4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H19IN4O2/c1-16-11(10(13)9-15-16)12(18)14-3-2-4-17-5-7-19-8-6-17/h9H,2-8H2,1H3,(H,14,18)
InChIKeyWJWQGZRGPVJOCV-UHFFFAOYSA-N
XLogP0.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide (CID 19476088) is 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
The InChIKey is WJWQGZRGPVJOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O2/c1-16-11(10(13)9-15-16)12(18)14-3-2-4-17-5-7-19-8-6-17/h9H,2-8H2,1H3,(H,14,18).
What are the key properties of 4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide?
4-iodo-1-methyl-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide has a molecular weight of 378.21 g/mol, XLogP of 0.48, 5 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-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19476088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).