N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide

C11H14IN5O — CID 19261948

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2nn(C)cc2I)cn1
InChIInChI=1S/C11H14IN5O/c1-3-17-6-8(5-14-17)4-13-11(18)10-9(12)7-16(2)15-10/h5-7H,3-4H2,1-2H3,(H,13,18)
InChIKeyVTFDWEVGWIDUTB-UHFFFAOYSA-N
MW359.17 g/mol
LogP1.17
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide (PubChem CID 19261948) has the molecular formula C11H14IN5O and a molecular weight of 359.17 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
PubChem CID19261948
Molecular FormulaC11H14IN5O
Molecular Weight359.17 g/mol
Exact Mass359.02
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide
SMILESCCn1cc(CNC(=O)c2nn(C)cc2I)cn1
InChIInChI=1S/C11H14IN5O/c1-3-17-6-8(5-14-17)4-13-11(18)10-9(12)7-16(2)15-10/h5-7H,3-4H2,1-2H3,(H,13,18)
InChIKeyVTFDWEVGWIDUTB-UHFFFAOYSA-N
XLogP1.17
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 51.17
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

N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
N-ethyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262123
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19475319
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
N-[(1-ethylpyrazol-4-yl)methyl]-2-propylpyrazole-3-carboxamide
CID 35535097
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
2-(4-bromopyrazol-1-yl)-N-[(1-ethylpyrazol-4-yl)methyl]acetamide
CID 19524572
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
4-chloro-1-ethyl-N-[1-methyl-5-[(1-methylpyrazol-4-yl)methylcarbamoyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263499
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide (CID 19261948) is N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide is CCn1cc(CNC(=O)c2nn(C)cc2I)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide?
The InChIKey is VTFDWEVGWIDUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN5O/c1-3-17-6-8(5-14-17)4-13-11(18)10-9(12)7-16(2)15-10/h5-7H,3-4H2,1-2H3,(H,13,18).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide has a molecular weight of 359.17 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-4-iodo-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19261948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).