N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

C12H13IN6O — CID 19552207

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(I)cnn1CCC(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C12H13IN6O/c1-8-10(13)7-16-19(8)4-3-11(20)17-12-9(5-14)6-15-18(12)2/h6-7H,3-4H2,1-2H3,(H,17,20)
InChIKeySSNNTGGEAJJFKO-UHFFFAOYSA-N
MW384.18 g/mol
LogP1.43
Rot. Bonds4

About N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide

N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19552207) has the molecular formula C12H13IN6O and a molecular weight of 384.18 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
PubChem CID19552207
Molecular FormulaC12H13IN6O
Molecular Weight384.18 g/mol
Exact Mass384.02
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(I)cnn1CCC(=O)Nc1c(C#N)cnn1C
InChIInChI=1S/C12H13IN6O/c1-8-10(13)7-16-19(8)4-3-11(20)17-12-9(5-14)6-15-18(12)2/h6-7H,3-4H2,1-2H3,(H,17,20)
InChIKeySSNNTGGEAJJFKO-UHFFFAOYSA-N
XLogP1.43
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.18
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557634
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 19517631
4-[3-(4-iodo-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552038
N-(4-cyano-1-methylpyrazol-5-yl)-4-(2-methylphenoxy)butanamide
CID 108760008
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551987
3-(4-iodo-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19552070
N-(4-ethoxyphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552009
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
N-(4-cyano-1-methylpyrazol-5-yl)-2-(5,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108737075
N-(4-cyano-1-methylpyrazol-5-yl)-4-thiophen-2-ylbutanamide
CID 112723814
N-(4-cyano-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309878

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (CID 19552207) is N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is Cc1c(I)cnn1CCC(=O)Nc1c(C#N)cnn1C.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is SSNNTGGEAJJFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN6O/c1-8-10(13)7-16-19(8)4-3-11(20)17-12-9(5-14)6-15-18(12)2/h6-7H,3-4H2,1-2H3,(H,17,20).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 384.18 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19552207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).