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

C10H14IN3O — CID 19551987

IUPACN-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(I)cnn1CCC(=O)NC1CC1
InChIInChI=1S/C10H14IN3O/c1-7-9(11)6-12-14(7)5-4-10(15)13-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,15)
InChIKeyCFKHNNOXBNHVAZ-UHFFFAOYSA-N
MW319.15 g/mol
LogP1.46
Rot. Bonds4

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

N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (PubChem CID 19551987) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
PubChem CID19551987
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC NameN-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
SMILESCc1c(I)cnn1CCC(=O)NC1CC1
InChIInChI=1S/C10H14IN3O/c1-7-9(11)6-12-14(7)5-4-10(15)13-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,15)
InChIKeyCFKHNNOXBNHVAZ-UHFFFAOYSA-N
XLogP1.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960546
N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341380
N-hexyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551972
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-(4-cyano-1-methylpyrazol-5-yl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552207
3-(4-iodo-5-methylpyrazol-1-yl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 19552070
N-(3-chloro-2-methylphenyl)-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19551954
N-cyclododecyl-3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)propanamide
CID 91960258
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
N-[2-(difluoromethoxy)-4-methylphenyl]-3-(4-iodo-5-methylpyrazol-1-yl)propanamide
CID 19552093
N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
CID 66401285
1-[3-(cyclopropylamino)-3-oxopropyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911022

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide (CID 19551987) is N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is Cc1c(I)cnn1CCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
The InChIKey is CFKHNNOXBNHVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-7-9(11)6-12-14(7)5-4-10(15)13-8-2-3-8/h6,8H,2-5H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide?
N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide has a molecular weight of 319.15 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-iodo-5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19551987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).