(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide

C16H24N6O2 — CID 136673937

IUPAC(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)[C@H](NC(C)=O)C3CCCC3)c12
InChIInChI=1S/C16H24N6O2/c1-4-11-12-14(19-20-15(12)22(3)21-11)18-16(24)13(17-9(2)23)10-7-5-6-8-10/h10,13H,4-8H2,1-3H3,(H,17,23)(H2,18,19,20,24)/t13-/m1/s1
InChIKeyNXLAPZDBFUUICV-CYBMUJFWSA-N
MW332.41 g/mol
LogP1.49
Rot. Bonds5

About (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide

(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide (PubChem CID 136673937) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
PubChem CID136673937
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)[C@H](NC(C)=O)C3CCCC3)c12
InChIInChI=1S/C16H24N6O2/c1-4-11-12-14(19-20-15(12)22(3)21-11)18-16(24)13(17-9(2)23)10-7-5-6-8-10/h10,13H,4-8H2,1-3H3,(H,17,23)(H2,18,19,20,24)/t13-/m1/s1
InChIKeyNXLAPZDBFUUICV-CYBMUJFWSA-N
XLogP1.49
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
The IUPAC name of (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide (CID 136673937) is (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide.
What is the SMILES notation for (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
The canonical SMILES for (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide is CCc1nn(C)c2n[nH]c(NC(=O)[C@H](NC(C)=O)C3CCCC3)c12.
What is the InChIKey of (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
The InChIKey is NXLAPZDBFUUICV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-4-11-12-14(19-20-15(12)22(3)21-11)18-16(24)13(17-9(2)23)10-7-5-6-8-10/h10,13H,4-8H2,1-3H3,(H,17,23)(H2,18,19,20,24)/t13-/m1/s1.
What are the key properties of (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide?
(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide is sourced from PubChem (CID 136673937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).