N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide

C19H26N4O — CID 134703688

IUPACN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1nn(C)c(NC(=O)CC2CCCCN2C)c1-c1ccccc1
InChIInChI=1S/C19H26N4O/c1-14-18(15-9-5-4-6-10-15)19(23(3)21-14)20-17(24)13-16-11-7-8-12-22(16)2/h4-6,9-10,16H,7-8,11-13H2,1-3H3,(H,20,24)
InChIKeyPSXYOPBKLRTWRI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.21
Rot. Bonds4

About N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide

N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide (PubChem CID 134703688) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide
PubChem CID134703688
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide
SMILESCc1nn(C)c(NC(=O)CC2CCCCN2C)c1-c1ccccc1
InChIInChI=1S/C19H26N4O/c1-14-18(15-9-5-4-6-10-15)19(23(3)21-14)20-17(24)13-16-11-7-8-12-22(16)2/h4-6,9-10,16H,7-8,11-13H2,1-3H3,(H,20,24)
InChIKeyPSXYOPBKLRTWRI-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide (CID 134703688) is N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide is Cc1nn(C)c(NC(=O)CC2CCCCN2C)c1-c1ccccc1.
What is the InChIKey of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide?
The InChIKey is PSXYOPBKLRTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-18(15-9-5-4-6-10-15)19(23(3)21-14)20-17(24)13-16-11-7-8-12-22(16)2/h4-6,9-10,16H,7-8,11-13H2,1-3H3,(H,20,24).
What are the key properties of N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide?
N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4-phenylpyrazol-5-yl)-2-(1-methylpiperidin-2-yl)acetamide is sourced from PubChem (CID 134703688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).