N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide

C30H33N5O — CID 162654267

IUPACN-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C30H33N5O/c1-30(2,34-20-18-33(19-21-34)25-14-8-4-9-15-25)23-31-29(36)27-22-35(26-16-10-5-11-17-26)32-28(27)24-12-6-3-7-13-24/h3-17,22H,18-21,23H2,1-2H3,(H,31,36)
InChIKeyHCRXCTDAUCRINH-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.87
Rot. Bonds7

About N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide

N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 162654267) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID162654267
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC NameN-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C30H33N5O/c1-30(2,34-20-18-33(19-21-34)25-14-8-4-9-15-25)23-31-29(36)27-22-35(26-16-10-5-11-17-26)32-28(27)24-12-6-3-7-13-24/h3-17,22H,18-21,23H2,1-2H3,(H,31,36)
InChIKeyHCRXCTDAUCRINH-UHFFFAOYSA-N
XLogP4.87
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide (CID 162654267) is N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide is CC(C)(CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is HCRXCTDAUCRINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-30(2,34-20-18-33(19-21-34)25-14-8-4-9-15-25)23-31-29(36)27-22-35(26-16-10-5-11-17-26)32-28(27)24-12-6-3-7-13-24/h3-17,22H,18-21,23H2,1-2H3,(H,31,36).
What are the key properties of N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(4-phenylpiperazin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 162654267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).