5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole

C15H23ClN4 — CID 79305301

IUPAC5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
SMILESCCCc1nn(C)c2c1nc(CCCl)n2C(C)C1CC1
InChIInChI=1S/C15H23ClN4/c1-4-5-12-14-15(19(3)18-12)20(10(2)11-6-7-11)13(17-14)8-9-16/h10-11H,4-9H2,1-3H3
InChIKeyRKCALDNOECMTLI-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.47
Rot. Bonds6

About 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole

5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole (PubChem CID 79305301) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
PubChem CID79305301
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole
SMILESCCCc1nn(C)c2c1nc(CCCl)n2C(C)C1CC1
InChIInChI=1S/C15H23ClN4/c1-4-5-12-14-15(19(3)18-12)20(10(2)11-6-7-11)13(17-14)8-9-16/h10-11H,4-9H2,1-3H3
InChIKeyRKCALDNOECMTLI-UHFFFAOYSA-N
XLogP3.47
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole (CID 79305301) is 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole is CCCc1nn(C)c2c1nc(CCCl)n2C(C)C1CC1.
What is the InChIKey of 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole?
The InChIKey is RKCALDNOECMTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-5-12-14-15(19(3)18-12)20(10(2)11-6-7-11)13(17-14)8-9-16/h10-11H,4-9H2,1-3H3.
What are the key properties of 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole?
5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole has a molecular weight of 294.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-6-(1-cyclopropylethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79305301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).