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

C18H23N5O — CID 91960421

IUPACN-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H23N5O/c1-4-22-16-12-19-23(18(16)14(2)20-22)11-10-17(24)21(3)13-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13H2,1-3H3
InChIKeyLGBLAUQQTFRDEO-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.61
Rot. Bonds6

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

N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide (PubChem CID 91960421) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
PubChem CID91960421
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
SMILESCCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H23N5O/c1-4-22-16-12-19-23(18(16)14(2)20-22)11-10-17(24)21(3)13-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13H2,1-3H3
InChIKeyLGBLAUQQTFRDEO-UHFFFAOYSA-N
XLogP2.61
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide (CID 91960421) is N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide is CCn1nc(C)c2c1cnn2CCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
The InChIKey is LGBLAUQQTFRDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-22-16-12-19-23(18(16)14(2)20-22)11-10-17(24)21(3)13-15-8-6-5-7-9-15/h5-9,12H,4,10-11,13H2,1-3H3.
What are the key properties of N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide?
N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide has a molecular weight of 325.42 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 91960421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).