N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H26N6O — CID 86914651

IUPACN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N6O/c1-14-18(15(2)25(5)23-14)12-20(27)22-19-10-11-21-26(19)13-16-6-8-17(9-7-16)24(3)4/h6-11H,12-13H2,1-5H3,(H,22,27)
InChIKeyVDILBPMZKXRABC-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86914651) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86914651
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N6O/c1-14-18(15(2)25(5)23-14)12-20(27)22-19-10-11-21-26(19)13-16-6-8-17(9-7-16)24(3)4/h6-11H,12-13H2,1-5H3,(H,22,27)
InChIKeyVDILBPMZKXRABC-UHFFFAOYSA-N
XLogP2.53
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86914651) is N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1ccnn1Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is VDILBPMZKXRABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-18(15(2)25(5)23-14)12-20(27)22-19-10-11-21-26(19)13-16-6-8-17(9-7-16)24(3)4/h6-11H,12-13H2,1-5H3,(H,22,27).
What are the key properties of N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86914651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).