4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C13H18IN5O — CID 19277979

IUPAC4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)cc1I
InChIInChI=1S/C13H18IN5O/c1-8-10(9(2)19(5)15-8)6-17(3)13(20)12-11(14)7-18(4)16-12/h7H,6H2,1-5H3
InChIKeyZWPCLHOEUDSVNL-UHFFFAOYSA-N
MW387.23 g/mol
LogP1.65
Rot. Bonds3

About 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19277979) has the molecular formula C13H18IN5O and a molecular weight of 387.23 g/mol. Its IUPAC name is 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19277979
Molecular FormulaC13H18IN5O
Molecular Weight387.23 g/mol
Exact Mass387.06
IUPAC Name4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)cc1I
InChIInChI=1S/C13H18IN5O/c1-8-10(9(2)19(5)15-8)6-17(3)13(20)12-11(14)7-18(4)16-12/h7H,6H2,1-5H3
InChIKeyZWPCLHOEUDSVNL-UHFFFAOYSA-N
XLogP1.65
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,1,3,5-tetramethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477956
4-bromo-N,1,3-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19478610
N-methyl-1-propan-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70716625
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-4-iodo-N,1-dimethylpyrazole-3-carboxamide
CID 19277989
1-methyl-4-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19623887
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
N-methyl-3-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2,4-thiadiazole-5-carboxamide
CID 154784788
1-methyl-3-[(1-methylimidazol-2-yl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 119067480
N,5-dimethyl-4-[(3-methylphenoxy)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19488211
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-1,3,5-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 42793282
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]propanoic acid
CID 64686967
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 70715084

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19277979) is 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1nn(C)c(C)c1CN(C)C(=O)c1nn(C)cc1I.
What is the InChIKey of 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZWPCLHOEUDSVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN5O/c1-8-10(9(2)19(5)15-8)6-17(3)13(20)12-11(14)7-18(4)16-12/h7H,6H2,1-5H3.
What are the key properties of 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 387.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N,1-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).