4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

C10H14IN3O2 — CID 4167409

IUPAC4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCC1CCCO1
InChIInChI=1S/C10H14IN3O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyHNKJGMFQXVCOCE-UHFFFAOYSA-N
MW335.15 g/mol
LogP0.93
Rot. Bonds3

About 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide

4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (PubChem CID 4167409) has the molecular formula C10H14IN3O2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
PubChem CID4167409
Molecular FormulaC10H14IN3O2
Molecular Weight335.15 g/mol
Exact Mass335.01
IUPAC Name4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
SMILESCn1ncc(I)c1C(=O)NCC1CCCO1
InChIInChI=1S/C10H14IN3O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyHNKJGMFQXVCOCE-UHFFFAOYSA-N
XLogP0.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 19476591
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
3-(1,5-dimethylpyrazol-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 35763072
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 136538538
4-bromo-1-methyl-N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4768711
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
4-amino-1-(2,2-difluoroethyl)-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 132586720
3-amino-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 95369014

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide (CID 4167409) is 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is Cn1ncc(I)c1C(=O)NCC1CCCO1.
What is the InChIKey of 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is HNKJGMFQXVCOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O2/c1-14-9(8(11)6-13-14)10(15)12-5-7-3-2-4-16-7/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide?
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 335.15 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4167409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).