N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide

C20H29N5O — CID 91782708

IUPACN-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCN(CCn1cccn1)C(=O)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-3-24(15-16-25-10-4-9-21-25)20(26)19-7-5-18(6-8-19)17-23-13-11-22(2)12-14-23/h4-10H,3,11-17H2,1-2H3
InChIKeyLRPFYPCMZATZFR-UHFFFAOYSA-N
MW355.49 g/mol
LogP1.79
Rot. Bonds7

About N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide

N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 91782708) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID91782708
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCCN(CCn1cccn1)C(=O)c1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C20H29N5O/c1-3-24(15-16-25-10-4-9-21-25)20(26)19-7-5-18(6-8-19)17-23-13-11-22(2)12-14-23/h4-10H,3,11-17H2,1-2H3
InChIKeyLRPFYPCMZATZFR-UHFFFAOYSA-N
XLogP1.79
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-[(3-chlorophenyl)methyl]-N-ethyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55594648
ethane;4-[(4-methylpiperazin-1-yl)methyl]benzoic acid
CID 143662062
N-ethyl-5-fluoro-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 91771673
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
N-ethyl-3-methyl-N-(2-pyrazol-1-ylethyl)imidazole-4-carboxamide
CID 131925005
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 56865921
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
N-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
2-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]-propan-2-ylamino]acetic acid
CID 120581023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide (CID 91782708) is N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide is CCN(CCn1cccn1)C(=O)c1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is LRPFYPCMZATZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-24(15-16-25-10-4-9-21-25)20(26)19-7-5-18(6-8-19)17-23-13-11-22(2)12-14-23/h4-10H,3,11-17H2,1-2H3.
What are the key properties of N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide?
N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 355.49 g/mol, XLogP of 1.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 91782708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).