(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide

C16H19N5O2 — CID 136807926

IUPAC(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)[C@@H](OC)c3ccccc3)c12
InChIInChI=1S/C16H19N5O2/c1-4-11-12-14(18-19-15(12)21(2)20-11)17-16(22)13(23-3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3,(H2,17,18,19,22)/t13-/m0/s1
InChIKeyCZYQHROIQCCNMN-ZDUSSCGKSA-N
MW313.36 g/mol
LogP2.18
Rot. Bonds5

About (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide

(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide (PubChem CID 136807926) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide
PubChem CID136807926
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)[C@@H](OC)c3ccccc3)c12
InChIInChI=1S/C16H19N5O2/c1-4-11-12-14(18-19-15(12)21(2)20-11)17-16(22)13(23-3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3,(H2,17,18,19,22)/t13-/m0/s1
InChIKeyCZYQHROIQCCNMN-ZDUSSCGKSA-N
XLogP2.18
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide (CID 136807926) is (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide is CCc1nn(C)c2n[nH]c(NC(=O)[C@@H](OC)c3ccccc3)c12.
What is the InChIKey of (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
The InChIKey is CZYQHROIQCCNMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-11-12-14(18-19-15(12)21(2)20-11)17-16(22)13(23-3)10-8-6-5-7-9-10/h5-9,13H,4H2,1-3H3,(H2,17,18,19,22)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide?
(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide has a molecular weight of 313.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 136807926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).