6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

C14H18ClN5S — CID 79280689

IUPAC6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(C)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClN5S/c1-4-5-9-12-13(19(3)18-9)20(14(16)17-12)8(2)10-6-7-11(15)21-10/h6-8H,4-5H2,1-3H3,(H2,16,17)
InChIKeyKXVXPKPJAZGNOJ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.63
Rot. Bonds4

About 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79280689) has the molecular formula C14H18ClN5S and a molecular weight of 323.85 g/mol. Its IUPAC name is 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79280689
Molecular FormulaC14H18ClN5S
Molecular Weight323.85 g/mol
Exact Mass323.10
IUPAC Name6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(C)c1ccc(Cl)s1
InChIInChI=1S/C14H18ClN5S/c1-4-5-9-12-13(19(3)18-9)20(14(16)17-12)8(2)10-6-7-11(15)21-10/h6-8H,4-5H2,1-3H3,(H2,16,17)
InChIKeyKXVXPKPJAZGNOJ-UHFFFAOYSA-N
XLogP3.63
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79300681
1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 102906820
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79282138
6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79305363
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethyl-N-methylpropanamide
CID 103112220
1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304886
6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107816990
3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79300400
6-(5-chloro-2-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281094
6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280957
6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280827
3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299984

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 79280689) is 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2C(C)c1ccc(Cl)s1.
What is the InChIKey of 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is KXVXPKPJAZGNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5S/c1-4-5-9-12-13(19(3)18-9)20(14(16)17-12)8(2)10-6-7-11(15)21-10/h6-8H,4-5H2,1-3H3,(H2,16,17).
What are the key properties of 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 323.85 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79280689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).