3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide

C14H20ClN5O — CID 79378566

IUPAC3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide
SMILESCCc1nn(C)c2c1nc(CCl)n2CCC(=O)NC1CC1
InChIInChI=1S/C14H20ClN5O/c1-3-10-13-14(19(2)18-10)20(11(8-15)17-13)7-6-12(21)16-9-4-5-9/h9H,3-8H2,1-2H3,(H,16,21)
InChIKeyASNGAASVIOXXSQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.74
Rot. Bonds6

About 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide

3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide (PubChem CID 79378566) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide
PubChem CID79378566
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide
SMILESCCc1nn(C)c2c1nc(CCl)n2CCC(=O)NC1CC1
InChIInChI=1S/C14H20ClN5O/c1-3-10-13-14(19(2)18-10)20(11(8-15)17-13)7-6-12(21)16-9-4-5-9/h9H,3-8H2,1-2H3,(H,16,21)
InChIKeyASNGAASVIOXXSQ-UHFFFAOYSA-N
XLogP1.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide (CID 79378566) is 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide is CCc1nn(C)c2c1nc(CCl)n2CCC(=O)NC1CC1.
What is the InChIKey of 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide?
The InChIKey is ASNGAASVIOXXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-3-10-13-14(19(2)18-10)20(11(8-15)17-13)7-6-12(21)16-9-4-5-9/h9H,3-8H2,1-2H3,(H,16,21).
What are the key properties of 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide?
3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide has a molecular weight of 309.80 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(chloromethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 79378566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).