3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide

C18H23N5O — CID 91960360

IUPAC3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H23N5O/c1-4-22-16-12-19-23(18(16)14(3)21-22)11-10-17(24)20-13(2)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,24)
InChIKeySWQTZQUUJNAJOT-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.83
Rot. Bonds6

About 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide

3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 91960360) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID91960360
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H23N5O/c1-4-22-16-12-19-23(18(16)14(3)21-22)11-10-17(24)20-13(2)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,24)
InChIKeySWQTZQUUJNAJOT-UHFFFAOYSA-N
XLogP2.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19543983
ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 91960393
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-(6-methyl-4-propan-2-ylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 56730012
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(1-phenylethyl)acetamide
CID 46652170
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
3-(diethylamino)-N-(1-phenylethyl)propanamide
CID 109020107
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)propanamide
CID 18134744
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide (CID 91960360) is 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide is CCn1nc(C)c2c1cnn2CCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is SWQTZQUUJNAJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-22-16-12-19-23(18(16)14(3)21-22)11-10-17(24)20-13(2)15-8-6-5-7-9-15/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,24).
What are the key properties of 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide?
3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 91960360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).