2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide

C21H31N5O — CID 126806416

IUPAC2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCCn1nc(C)c(CN2CCN(C(C(N)=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C21H31N5O/c1-4-10-26-17(3)19(16(2)23-26)15-24-11-13-25(14-12-24)20(21(22)27)18-8-6-5-7-9-18/h5-9,20H,4,10-15H2,1-3H3,(H2,22,27)
InChIKeyUVLLAJHOPMBUHN-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide

2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide (PubChem CID 126806416) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide
PubChem CID126806416
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide
SMILESCCCn1nc(C)c(CN2CCN(C(C(N)=O)c3ccccc3)CC2)c1C
InChIInChI=1S/C21H31N5O/c1-4-10-26-17(3)19(16(2)23-26)15-24-11-13-25(14-12-24)20(21(22)27)18-8-6-5-7-9-18/h5-9,20H,4,10-15H2,1-3H3,(H2,22,27)
InChIKeyUVLLAJHOPMBUHN-UHFFFAOYSA-N
XLogP2.25
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide (CID 126806416) is 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide is CCCn1nc(C)c(CN2CCN(C(C(N)=O)c3ccccc3)CC2)c1C.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
The InChIKey is UVLLAJHOPMBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-10-26-17(3)19(16(2)23-26)15-24-11-13-25(14-12-24)20(21(22)27)18-8-6-5-7-9-18/h5-9,20H,4,10-15H2,1-3H3,(H2,22,27).
What are the key properties of 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide?
2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide has a molecular weight of 369.51 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 126806416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).