N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide

C14H20IN5O — CID 19558406

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide
SMILESCCn1ccc(CN(C)C(=O)CCn2ncc(I)c2C)n1
InChIInChI=1S/C14H20IN5O/c1-4-19-7-5-12(17-19)10-18(3)14(21)6-8-20-11(2)13(15)9-16-20/h5,7,9H,4,6,8,10H2,1-3H3
InChIKeyYBAFNYKJWMAGBY-UHFFFAOYSA-N
MW401.25 g/mol
LogP2.06
Rot. Bonds6

About N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide

N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide (PubChem CID 19558406) has the molecular formula C14H20IN5O and a molecular weight of 401.25 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide
PubChem CID19558406
Molecular FormulaC14H20IN5O
Molecular Weight401.25 g/mol
Exact Mass401.07
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide
SMILESCCn1ccc(CN(C)C(=O)CCn2ncc(I)c2C)n1
InChIInChI=1S/C14H20IN5O/c1-4-19-7-5-12(17-19)10-18(3)14(21)6-8-20-11(2)13(15)9-16-20/h5,7,9H,4,6,8,10H2,1-3H3
InChIKeyYBAFNYKJWMAGBY-UHFFFAOYSA-N
XLogP2.06
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 52.06
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-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558354
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(5-methylpyrazol-1-yl)acetamide
CID 19531117
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531133
2-[3-(difluoromethyl)-5-methyl-4-nitropyrazol-1-yl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531240
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531246
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531252
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19531270
4-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]-4-oxobutanoic acid
CID 19620319
1-[3-[(4-chloro-1-ethylpyrazol-5-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470790
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515544
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
N-[[1-(2-hydroxyethyl)pyrazol-3-yl]methyl]-N-methylacetamide
CID 178152321

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide (CID 19558406) is N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide is CCn1ccc(CN(C)C(=O)CCn2ncc(I)c2C)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide?
The InChIKey is YBAFNYKJWMAGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN5O/c1-4-19-7-5-12(17-19)10-18(3)14(21)6-8-20-11(2)13(15)9-16-20/h5,7,9H,4,6,8,10H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide?
N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide has a molecular weight of 401.25 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-3-(4-iodo-5-methylpyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 19558406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).